tert-butyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoate Openeye Name: tert-butyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoate CAS Name: 3-[(4-methoxyphenyl)thio]-7-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)sulfanyl-7-phenylheptanoate Traditional Name: 3-[(4-methoxyphenyl)thio]-7-phenyl-enanthic acid tert-butyl ester Formula: C24H32O3S MolecularWeight: 400.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H32O3S/c1-24(2,3)27-23(25)18-22(28-21-16-14-20(26-4)15-17-21)13-9-8-12-19-10-6-5-7-11-19/h5-7,10-11,14-17,22H,8-9,12-13,18H2,1-4H3