2-[8-methyl-1-oxidanyl-3,4-bis(oxidanylidene)phenanthren-2-yl]propyl (Z)-octadec-9-enoate

Systemtic Name: 2-[8-methyl-1-oxidanyl-3,4-bis(oxidanylidene)phenanthren-2-yl]propyl (Z)-octadec-9-enoate Openeye Name: 2-(1-hydroxy-8-methyl-3,4-dioxo-2-phenanthryl)propyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid 2-(1-hydroxy-8-methyl-3,4-dioxo-2-phenanthrenyl)propyl ester IUPAC Name: 2-(1-hydroxy-8-methyl-3,4-dioxophenanthren-2-yl)propyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid 2-(1-hydroxy-3,4-diketo-8-methyl-2-phenanthryl)propyl ester Formula: C36H48O5 MolecularWeight: 560.76332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(=CC=C3)C)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(=CC=C3)C)C(=O)C1=O)O

InChI

InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h11-12,19-21,23-24,27,38H,4-10,13-18,22,25H2,1-3H3/b12-11-