[(3S,4S)-2-but-3-enyl-5-oxidanylidene-4-(2-oxidanylideneoct-7-enyl)-3-propan-2-yl-cyclopenten-1-yl] benzoate

Systemtic Name: [(3S,4S)-2-but-3-enyl-5-oxidanylidene-4-(2-oxidanylideneoct-7-enyl)-3-propan-2-yl-cyclopenten-1-yl] benzoate Openeye Name: [(3S,4S)-2-but-3-enyl-3-isopropyl-5-oxo-4-(2-oxooct-7-enyl)cyclopenten-1-yl] benzoate CAS Name: benzoic acid [(3S,4S)-2-but-3-enyl-5-oxo-4-(2-oxooct-7-enyl)-3-propan-2-yl-1-cyclopentenyl] ester IUPAC Name: [(3S,4S)-2-but-3-enyl-5-oxo-4-(2-oxooct-7-enyl)-3-propan-2-ylcyclopenten-1-yl] benzoate Traditional Name: benzoic acid [(3S,4S)-2-but-3-enyl-3-isopropyl-5-keto-4-(2-ketooct-7-enyl)cyclopenten-1-yl] ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=O)C(=C1CCC=C)OC(=O)C2=CC=CC=C2)CC(=O)CCCCC=C

Isomeric SMILES

CC(C)[C@H]1[C@@H](C(=O)C(=C1CCC=C)OC(=O)C2=CC=CC=C2)CC(=O)CCCCC=C

InChI

InChI=1S/C27H34O4/c1-5-7-9-13-16-21(28)18-23-24(19(3)4)22(17-8-6-2)26(25(23)29)31-27(30)20-14-11-10-12-15-20/h5-6,10-12,14-15,19,23-24H,1-2,7-9,13,16-18H2,3-4H3/t23-,24+/m0/s1