[2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl] 3-chloranylbenzoate

Systemtic Name: [2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl] 3-chloranylbenzoate Openeye Name: [2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (5-keto-4,7,7-trimethyl-2-p-anisyloxy-cyclohept-3-en-1-yl) ester Formula: C25H27ClO5 MolecularWeight: 442.93188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC(=CC=C2)Cl)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC(=CC=C2)Cl)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27ClO5/c1-16-12-22(30-15-17-8-10-20(29-4)11-9-17)23(25(2,3)14-21(16)27)31-24(28)18-6-5-7-19(26)13-18/h5-13,22-23H,14-15H2,1-4H3