[2-(3-methylpenta-1,2-dienyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylpenta-1,2-dienyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-methylpenta-1,2-dienyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylpenta-1,2-dienyl)phenyl] ester IUPAC Name: [2-(3-methylpenta-1,2-dienyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-methylpenta-1,2-dienyl)phenyl] ester Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C=CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCC(=C=CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C19H20O3S/c1-4-15(2)9-12-17-7-5-6-8-19(17)22-23(20,21)18-13-10-16(3)11-14-18/h5-8,10-14H,4H2,1-3H3