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dioctyl 2-[(3-methylphenyl)-sulfanyl-carbamothioyl]butanedioate

dioctyl 2-[(3-methylphenyl)-sulfanyl-carbamothioyl]butanedioate

Systemtic Name:dioctyl 2-[(3-methylphenyl)-sulfanyl-carbamothioyl]butanedioate
Openeye Name:dioctyl 2-[m-tolyl(sulfanyl)carbamothioyl]butanedioate
CAS Name:2-[(N-mercapto-3-methylanilino)-sulfanylidenemethyl]butanedioic acid dioctyl ester
IUPAC Name:dioctyl 2-[(3-methylphenyl)-sulfanylcarbamothioyl]butanedioate
Traditional Name:2-[mercapto(m-tolyl)thiocarbamoyl]succinic acid dioctyl ester
Formula: C28H45NO4S2
MolecularWeight: 523.7912
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=S)N(C1=CC=CC(=C1)C)S)C(=O)OCCCCCCCC


Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=S)N(C1=CC=CC(=C1)C)S)C(=O)OCCCCCCCC


InChI

InChI=1S/C28H45NO4S2/c1-4-6-8-10-12-14-19-32-26(30)22-25(28(31)33-20-15-13-11-9-7-5-2)27(34)29(35)24-18-16-17-23(3)21-24/h16-18,21,25,35H,4-15,19-20,22H2,1-3H3


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