tert-butyl 3-(1,3-benzodioxol-5-ylsulfanyl)-7-phenyl-heptanoate

Systemtic Name: tert-butyl 3-(1,3-benzodioxol-5-ylsulfanyl)-7-phenyl-heptanoate Openeye Name: tert-butyl 3-(1,3-benzodioxol-5-ylsulfanyl)-7-phenyl-heptanoate CAS Name: 3-(1,3-benzodioxol-5-ylthio)-7-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzodioxol-5-ylsulfanyl)-7-phenylheptanoate Traditional Name: 3-(1,3-benzodioxol-5-ylthio)-7-phenyl-enanthic acid tert-butyl ester Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H30O4S/c1-24(2,3)28-23(25)16-19(12-8-7-11-18-9-5-4-6-10-18)29-20-13-14-21-22(15-20)27-17-26-21/h4-6,9-10,13-15,19H,7-8,11-12,16-17H2,1-3H3