2-phenylmethoxynon-8-en-3-yl 4-methylbenzenesulfonate

Systemtic Name: 2-phenylmethoxynon-8-en-3-yl 4-methylbenzenesulfonate Openeye Name: 1-(1-benzyloxyethyl)hept-6-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-phenylmethoxynon-8-en-3-yl ester IUPAC Name: 2-phenylmethoxynon-8-en-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(1-benzoxyethyl)hept-6-enyl ester Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC=C)C(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC=C)C(C)OCC2=CC=CC=C2

InChI

InChI=1S/C23H30O4S/c1-4-5-6-10-13-23(20(3)26-18-21-11-8-7-9-12-21)27-28(24,25)22-16-14-19(2)15-17-22/h4,7-9,11-12,14-17,20,23H,1,5-6,10,13,18H2,2-3H3