1-phenylnona-1,2-dien-5-yl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylnona-1,2-dien-5-yl 4-methylbenzenesulfonate Openeye Name: (1-butyl-5-phenyl-penta-3,4-dienyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylnona-1,2-dien-5-yl ester IUPAC Name: 1-phenylnona-1,2-dien-5-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-butyl-5-phenyl-penta-3,4-dienyl) ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=C=CC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CC=C=CC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H26O3S/c1-3-4-13-21(14-9-8-12-20-10-6-5-7-11-20)25-26(23,24)22-17-15-19(2)16-18-22/h5-7,9-12,15-18,21H,3-4,13-14H2,1-2H3