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 10 results

Search term: LRMHPGVONLYGQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8584897

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21-,22-,25-,26+,27-/m0/s1
C27H40O3412.6047121400
432936

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3
C27H40O3412.60478800
138067

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27-/m0/s1
C27H40O3412.60476700
322368

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19?,20?,21-,22+,25+,26-,27+/m1/s1
C27H40O3412.60475500
9559308

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21+,22-,25-,26-,27+/m0/s1
C27H40O3412.60474400
10480789

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21-,22-,25-,26-,27+/m0/s1
C27H40O3412.60473300
10474686

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27+/m0/s1
C27H40O3412.60472200
8200252

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19?,20-,21-,22+,25+,26-,27+/m1/s1
C27H40O3412.60472200
57577060

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21-,22-,25-,26-,27-/m0/s1
C27H40O3412.60471100
58842467

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21-,22+,25+,26-,27+/m1/s1
C27H40O3412.60471100

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