3,4,4-triphenylbut-3-enyl 4-methylbenzenesulfonate

Systemtic Name: 3,4,4-triphenylbut-3-enyl 4-methylbenzenesulfonate Openeye Name: 3,4,4-triphenylbut-3-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,4,4-triphenylbut-3-enyl ester IUPAC Name: 3,4,4-triphenylbut-3-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,4,4-triphenylbut-3-enyl ester Formula: C29H26O3S MolecularWeight: 454.57994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H26O3S/c1-23-17-19-27(20-18-23)33(30,31)32-22-21-28(24-11-5-2-6-12-24)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21-22H2,1H3