6-(4-phenylphenyl)hexyl 4-methylbenzenesulfonate

Systemtic Name: 6-(4-phenylphenyl)hexyl 4-methylbenzenesulfonate Openeye Name: 6-(4-phenylphenyl)hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-(4-phenylphenyl)hexyl ester IUPAC Name: 6-(4-phenylphenyl)hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-(4-phenylphenyl)hexyl ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28O3S/c1-21-12-18-25(19-13-21)29(26,27)28-20-8-3-2-5-9-22-14-16-24(17-15-22)23-10-6-4-7-11-23/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3