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
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Found 4 results

Search term: CTSPXNCFVRSKKD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28516040

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13+,18+,19+,20-,27+,28-,29-,30-,31-/m0/s1
C31H32O12596.57868700
59702679

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13-,18-,19-,20+,27+,28-,29+,30+,31+/m1/s1
C31H32O12596.57862100
128926772

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13+,18+,19+,20+,27-,28-,29-,30-,31-/m0/s1
C31H32O12596.57861100
129226295

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13+,18+,19+,20-,27-,28-,29-,30-,31-/m0/s1
C31H32O12596.57861100

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