9-phenylnonyl 4-methylbenzenesulfonate

Systemtic Name: 9-phenylnonyl 4-methylbenzenesulfonate Openeye Name: 9-phenylnonyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 9-phenylnonyl ester IUPAC Name: 9-phenylnonyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 9-phenylnonyl ester Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H30O3S/c1-20-15-17-22(18-16-20)26(23,24)25-19-11-6-4-2-3-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-18H,2-6,8,11-12,19H2,1H3