tert-butyl 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoate

Systemtic Name: tert-butyl 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoate Openeye Name: tert-butyl 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoate CAS Name: 3-[(3,4-dimethoxyphenyl)thio]-7-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenylheptanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)thio]-7-phenyl-enanthic acid tert-butyl ester Formula: C25H34O4S MolecularWeight: 430.60006

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34O4S/c1-25(2,3)29-24(26)18-20(14-10-9-13-19-11-7-6-8-12-19)30-21-15-16-22(27-4)23(17-21)28-5/h6-8,11-12,15-17,20H,9-10,13-14,18H2,1-5H3