2-[8,8-dimethyl-1-oxidanyl-3,4-bis(oxidanylidene)-6,7-dihydro-5H-phenanthren-2-yl]propyl (Z)-octadec-9-enoate

Systemtic Name: 2-[8,8-dimethyl-1-oxidanyl-3,4-bis(oxidanylidene)-6,7-dihydro-5H-phenanthren-2-yl]propyl (Z)-octadec-9-enoate Openeye Name: 2-(1-hydroxy-8,8-dimethyl-3,4-dioxo-6,7-dihydro-5H-phenanthren-2-yl)propyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid 2-(1-hydroxy-8,8-dimethyl-3,4-dioxo-6,7-dihydro-5H-phenanthren-2-yl)propyl ester IUPAC Name: 2-(1-hydroxy-8,8-dimethyl-3,4-dioxo-6,7-dihydro-5H-phenanthren-2-yl)propyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid 2-(1-hydroxy-3,4-diketo-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)propyl ester Formula: C37H54O5 MolecularWeight: 578.82166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O

InChI

InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,39H,5-11,14-22,25-26H2,1-4H3/b13-12-