ditert-butyl 2-[(3,4-dichlorophenyl)sulfanylmethyl]hexanedioate

Systemtic Name: ditert-butyl 2-[(3,4-dichlorophenyl)sulfanylmethyl]hexanedioate Openeye Name: ditert-butyl 2-[(3,4-dichlorophenyl)sulfanylmethyl]hexanedioate CAS Name: 2-[[(3,4-dichlorophenyl)thio]methyl]hexanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(3,4-dichlorophenyl)sulfanylmethyl]hexanedioate Traditional Name: 2-[[(3,4-dichlorophenyl)thio]methyl]adipic acid ditert-butyl ester Formula: C21H30Cl2O4S MolecularWeight: 449.4315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC(CSC1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCC(CSC1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30Cl2O4S/c1-20(2,3)26-18(24)9-7-8-14(19(25)27-21(4,5)6)13-28-15-10-11-16(22)17(23)12-15/h10-12,14H,7-9,13H2,1-6H3