N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide

Systemtic Name: N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide Openeye Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide CAS Name: N-[1,2,3-trihydroxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide IUPAC Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide Traditional Name: N-[1,2,3-trihydroxy-9-keto-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]palmitamide Formula: C33H47NO5S MolecularWeight: 569.79498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O

InChI

InChI=1S/C33H47NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(37)34-26-19-17-23-21-28(36)32(38)33(39)31(23)24-18-20-29(40-2)27(35)22-25(24)26/h18,20-22,26,36,38-39H,3-17,19H2,1-2H3,(H,34,37)