[(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-oxidanyl-2-oxidanylidene-cyclohex-3-en-1-yl] 4-chloranylbenzoate

Systemtic Name: [(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-oxidanyl-2-oxidanylidene-cyclohex-3-en-1-yl] 4-chloranylbenzoate Openeye Name: [(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-hydroxy-2-oxo-cyclohex-3-en-1-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-hydroxy-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-hydroxy-2-oxocyclohex-3-en-1-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R,5R)-5-[(Z)-heptadec-10-enyl]-5-hydroxy-2-keto-cyclohex-3-en-1-yl] ester Formula: C30H43ClO4 MolecularWeight: 503.11302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC1(CC(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCCCC/C=C\CCCCCCCCC[C@]1(C[C@H](C(=O)C=C1)OC(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C30H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-30(34)23-21-27(32)28(24-30)35-29(33)25-17-19-26(31)20-18-25/h7-8,17-21,23,28,34H,2-6,9-16,22,24H2,1H3/b8-7-/t28-,30+/m1/s1