ditetradecyl (E)-2-(phenylmethylsulfanyl)but-2-enedioate

Systemtic Name: ditetradecyl (E)-2-(phenylmethylsulfanyl)but-2-enedioate Openeye Name: ditetradecyl (E)-2-benzylsulfanylbut-2-enedioate CAS Name: (E)-2-(phenylmethylthio)-2-butenedioic acid ditetradecyl ester IUPAC Name: ditetradecyl (E)-2-benzylsulfanylbut-2-enedioate Traditional Name: (E)-2-(benzylthio)but-2-enedioic acid dimyristyl ester Formula: C39H66O4S MolecularWeight: 631.00394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C=C(C(=O)OCCCCCCCCCCCCCC)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)/C=C(\C(=O)OCCCCCCCCCCCCCC)/SCC1=CC=CC=C1

InChI

InChI=1S/C39H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-42-38(40)34-37(44-35-36-30-26-25-27-31-36)39(41)43-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,34H,3-24,28-29,32-33,35H2,1-2H3/b37-34+