[3-(5-ethyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(5-ethyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(5-ethyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(5-ethyl-2-methoxyphenyl)-3-phenylpropyl] ester IUPAC Name: [3-(5-ethyl-2-methoxyphenyl)-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(5-ethyl-2-methoxy-phenyl)-3-phenyl-propyl] ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)C(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)C(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C25H28O4S/c1-4-20-12-15-25(28-3)24(18-20)23(21-8-6-5-7-9-21)16-17-29-30(26,27)22-13-10-19(2)11-14-22/h5-15,18,23H,4,16-17H2,1-3H3