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: NCXSPZYKHJGFIK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
297654

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3
C27H39NO2409.6041271600
1266421

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/t24-/m0/s1
C27H39NO2409.60412100
1606658

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/t24-/m1/s1
C27H39NO2409.60412100
3485275

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/p+1
C27H40NO2410.6121100
1606657

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/p+1/t24-/m1/s1
C27H40NO2410.61151100
1266420

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/p+1/t24-/m0/s1
C27H40NO2410.61151100

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