dimethyl 2,3-bis[(4-dodecylphenyl)methylsulfanyl]butanedioate

Systemtic Name: dimethyl 2,3-bis[(4-dodecylphenyl)methylsulfanyl]butanedioate Openeye Name: dimethyl 2,3-bis[(4-dodecylphenyl)methylsulfanyl]butanedioate CAS Name: 2,3-bis[(4-dodecylphenyl)methylthio]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2,3-bis[(4-dodecylphenyl)methylsulfanyl]butanedioate Traditional Name: 2,3-bis[(4-laurylbenzyl)thio]succinic acid dimethyl ester Formula: C44H70O4S2 MolecularWeight: 727.1542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CSC(C(C(=O)OC)SCC2=CC=C(C=C2)CCCCCCCCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CSC(C(C(=O)OC)SCC2=CC=C(C=C2)CCCCCCCCCCCC)C(=O)OC

InChI

InChI=1S/C44H70O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-37-27-31-39(32-28-37)35-49-41(43(45)47-3)42(44(46)48-4)50-36-40-33-29-38(30-34-40)26-24-22-20-18-16-14-12-10-8-6-2/h27-34,41-42H,5-26,35-36H2,1-4H3