[3-methoxy-2-methyl-5-[(Z)-6-methyl-7-oxidanyl-hept-5-en-2-yl]-4-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methoxy-2-methyl-5-[(Z)-6-methyl-7-oxidanyl-hept-5-en-2-yl]-4-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-hydroxy-5-[(Z)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methoxy-2-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-5-[(Z)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methoxy-2-methylphenyl] ester IUPAC Name: [4-hydroxy-5-[(Z)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methoxy-2-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-hydroxy-5-[(Z)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methoxy-2-methyl-phenyl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)C(C)CCC=C(C)CO)O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)C(C)CC/C=C(/C)\CO)O)OC)C

InChI

InChI=1S/C23H30O6S/c1-15-9-11-19(12-10-15)30(26,27)29-21-13-20(22(25)23(28-5)18(21)4)17(3)8-6-7-16(2)14-24/h7,9-13,17,24-25H,6,8,14H2,1-5H3/b16-7-