2-(4-phenoxyphenyl)sulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-phenoxyphenyl)sulfanylethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-phenoxyphenyl)sulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4-phenoxyphenyl)thio]ethyl ester IUPAC Name: 2-(4-phenoxyphenyl)sulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4-phenoxyphenyl)thio]ethyl ester Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20O4S2/c1-17-7-13-21(14-8-17)27(22,23)24-15-16-26-20-11-9-19(10-12-20)25-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3