[3-methoxy-2-methyl-5-(5-oxidanylidenepentan-2-yl)-4-phenylmethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methoxy-2-methyl-5-(5-oxidanylidenepentan-2-yl)-4-phenylmethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-benzyloxy-3-methoxy-2-methyl-5-(1-methyl-4-oxo-butyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methoxy-2-methyl-5-(5-oxopentan-2-yl)-4-phenylmethoxyphenyl] ester IUPAC Name: [3-methoxy-2-methyl-5-(5-oxopentan-2-yl)-4-phenylmethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-benzoxy-5-(4-keto-1-methyl-butyl)-3-methoxy-2-methyl-phenyl] ester Formula: C27H30O6S MolecularWeight: 482.5885

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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=O)OCC3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)C(C)CCC=O)OCC3=CC=CC=C3)OC)C

InChI

InChI=1S/C27H30O6S/c1-19-12-14-23(15-13-19)34(29,30)33-25-17-24(20(2)9-8-16-28)27(26(31-4)21(25)3)32-18-22-10-6-5-7-11-22/h5-7,10-17,20H,8-9,18H2,1-4H3