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: VSWQTQWBDDXHMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9687009

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)/t14-,15-,17-,18+,19+,20+,21-,22-,23+,24+/m1/s1
C24H31NO13541.5018191700
21588277

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)
C24H31NO13541.50185200
170033

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)/t14-,15-,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
C24H31NO13541.50185500
71116810

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)/t14-,15-,17-,18+,19+,20+,21-,22?,23+,24+/m1/s1
C24H31NO13541.50181100
81367115

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)/t14-,15-,17+,18+,19+,20+,21-,22-,23+,24+/m1/s1
C24H31NO13541.50181100
128924759

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H31NO13/c1-9-5-16(29)35-13-6-11(3-4-12(9)13)34-23-17(25-10(2)28)22(19(31)15(8-27)36-23)38-24-21(33)20(32)18(30)14(7-26)37-24/h3-6,14-15,17-24,26-27,30-33H,7-8H2,1-2H3,(H,25,28)/t14-,15-,17-,18+,19-,20+,21+,22-,23+,24+/m1/s1
C24H31NO13541.50181100

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