3-phenylpropyl 4-[(5-ethyl-2-methoxy-phenyl)methyl]benzenesulfonate

Systemtic Name: 3-phenylpropyl 4-[(5-ethyl-2-methoxy-phenyl)methyl]benzenesulfonate Openeye Name: 3-phenylpropyl 4-[(5-ethyl-2-methoxy-phenyl)methyl]benzenesulfonate CAS Name: 4-[(5-ethyl-2-methoxyphenyl)methyl]benzenesulfonic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(5-ethyl-2-methoxyphenyl)methyl]benzenesulfonate Traditional Name: 4-(5-ethyl-2-methoxy-benzyl)benzenesulfonic acid 3-phenylpropyl ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)CC2=CC=C(C=C2)S(=O)(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)CC2=CC=C(C=C2)S(=O)(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H28O4S/c1-3-20-13-16-25(28-2)23(18-20)19-22-11-14-24(15-12-22)30(26,27)29-17-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3