ethyl (E)-2-chloranyl-9-(2-methoxy-3-propan-2-yl-phenyl)-6-methyl-3-oxidanylidene-non-6-enoate

Systemtic Name: ethyl (E)-2-chloranyl-9-(2-methoxy-3-propan-2-yl-phenyl)-6-methyl-3-oxidanylidene-non-6-enoate Openeye Name: ethyl (E)-2-chloro-9-(3-isopropyl-2-methoxy-phenyl)-6-methyl-3-oxo-non-6-enoate CAS Name: (E)-2-chloro-9-(2-methoxy-3-propan-2-ylphenyl)-6-methyl-3-oxo-6-nonenoic acid ethyl ester IUPAC Name: ethyl (E)-2-chloro-9-(2-methoxy-3-propan-2-ylphenyl)-6-methyl-3-oxonon-6-enoate Traditional Name: (E)-2-chloro-9-(3-isopropyl-2-methoxy-phenyl)-3-keto-6-methyl-non-6-enoic acid ethyl ester Formula: C22H31ClO4 MolecularWeight: 394.93214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CCC(=CCCC1=C(C(=CC=C1)C(C)C)OC)C)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)CC/C(=C/CCC1=C(C(=CC=C1)C(C)C)OC)/C)Cl

InChI

InChI=1S/C22H31ClO4/c1-6-27-22(25)20(23)19(24)14-13-16(4)9-7-10-17-11-8-12-18(15(2)3)21(17)26-5/h8-9,11-12,15,20H,6-7,10,13-14H2,1-5H3/b16-9+