Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 12 results

Search term: BUBGAUHBELNDEW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2006759

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
C20H21NO4S371.450041108000
5360651

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
C20H21NO4S371.45966400
90460

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)
C20H21NO4S371.45555400
24533163

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i1D3
C20H18D3NO4S374.46859900
49071734

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i1+1,10+1,11+1,18+1,19+1,21+1
C1513C5H2115NO4S377.40679800
49071458

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i19+1
C1913CH21NO4S372.44276500
49072983

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i21+1
C20H2115NO4S372.44345500
24533162

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1/i1D3
C20H18D3NO4S374.46853200
128935235

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i1+1
C1913CH21NO4S372.44272200
107449046

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1/i26+2
C20H21NO434S373.35291100
5373127

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/p-1/t18-/m0/s1
C20H20NO4S370.44261100
5360650

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/p-1/t18-/m1/s1
C20H20NO4S370.44261100

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