[3-(2-methoxy-3-methyl-phenyl)-4-methyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-methoxy-3-methyl-phenyl)-4-methyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-methoxy-3-methyl-phenyl)-4-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-methoxy-3-methylphenyl)-4-methylpentyl] ester IUPAC Name: [3-(2-methoxy-3-methylphenyl)-4-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-methoxy-3-methyl-phenyl)-4-methyl-pentyl] ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC(=C2OC)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC(=C2OC)C)C(C)C

InChI

InChI=1S/C21H28O4S/c1-15(2)19(20-8-6-7-17(4)21(20)24-5)13-14-25-26(22,23)18-11-9-16(3)10-12-18/h6-12,15,19H,13-14H2,1-5H3