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 7 results

Search term: CXUYRNDRKDXIHC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8657538

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5-,8-6-,18-14-/t19-,20-,21-,24-,25-,26-,27-,28-,29+/m1/s1
C29H38O9530.60663300
23213646

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5+,8-6-,18-14+/t19-,20+,21+,24+,25+,26+,27+,28+,29-/m0/s1
C29H38O9530.60662300
23213709

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5+,8-6-,18-14+/t19-,20-,21-,24-,25-,26-,27-,28-,29+/m1/s1
C29H38O9530.60662300
8500187

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5-,8-6-,18-14-
C29H38O9530.60662100
58109353

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5-,8-6-,18-14-/t19-,20+,21+,24+,25+,26+,27+,28+,29-/m0/s1
C29H38O9530.60661100
78436698

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5-,8-6+,18-14-/t19-,20-,21-,24?,25-,26-,27-,28-,29+/m1/s1
C29H38O9530.60661100
78444230

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5-,8-6+,18-14-
C29H38O9530.60661100

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