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: WDWFRIMNWVDXGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8658839

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8+,20-11+,21-7+,24-10+/t19-,23-,25+,26-,27-,28-,29+,30+,31+,33-,34+/m0/s1
C34H48O8584.74013200
4943355

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8+,20-11+,21-7+,24-10+/t19-,23-,25+,26?,27?,28-,29+,30+,31+,33?,34+/m0/s1
C34H48O8584.74012100
57522320

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8-,20-11-,21-7+,24-10-/t19-,23-,25+,26?,27?,28-,29+,30+,31+,33?,34+/m0/s1
C34H48O8584.74011100
79715743

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8-,20-11-,21-7+,24-10-/t19-,23-,25+,26+,27-,28-,29+,30+,31-,33+,34-/m0/s1
C34H48O8584.74011100
111307063

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8-,20-11-,21-7+,24-10-/t19-,23-,25+,26-,27-,28-,29+,30+,31+,33-,34+/m1/s1
C34H48O8584.74011100

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