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 6 results

Search term: RQEOMJWWVKNKPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2376732

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)
C16H23NO3277.35872452500
5472134

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)/t10?,11?,12?,13-,16?/m0/s1
C16H23NO3277.358716900
26495954

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)/t10-,11+,12-,13?,16-
C16H23NO3277.35878800
5472132

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)/t10?,11?,12?,13-,16?/m1/s1
C16H23NO3277.35875400
5472133

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)/p-1/t10?,11?,12?,13-,16?/m0/s1
C16H22NO3276.35131100
5472131

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)/p-1/t10?,11?,12?,13-,16?/m1/s1
C16H22NO3276.35131100

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