[3-methanoyl-2-(7-methoxy-7-oxidanylidene-heptyl)-4-(4-phenylphenyl)carbonyloxy-cyclopentyl] 4-phenylbenzoate

Systemtic Name: [3-methanoyl-2-(7-methoxy-7-oxidanylidene-heptyl)-4-(4-phenylphenyl)carbonyloxy-cyclopentyl] 4-phenylbenzoate Openeye Name: [3-formyl-2-(7-methoxy-7-oxo-heptyl)-4-(4-phenylbenzoyl)oxy-cyclopentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-formyl-2-(7-methoxy-7-oxoheptyl)-4-[oxo-(4-phenylphenyl)methoxy]cyclopentyl] ester IUPAC Name: [3-formyl-2-(7-methoxy-7-oxoheptyl)-4-(4-phenylbenzoyl)oxycyclopentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-formyl-2-(7-keto-7-methoxy-heptyl)-4-(4-phenylbenzoyl)oxy-cyclopentyl] ester Formula: C40H40O7 MolecularWeight: 632.7414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1C(CC(C1C=O)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCCCCCC1C(CC(C1C=O)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C40H40O7/c1-45-38(42)17-11-3-2-10-16-34-35(27-41)37(47-40(44)33-24-20-31(21-25-33)29-14-8-5-9-15-29)26-36(34)46-39(43)32-22-18-30(19-23-32)28-12-6-4-7-13-28/h4-9,12-15,18-25,27,34-37H,2-3,10-11,16-17,26H2,1H3