O1-(6-methylheptyl) O4-(2-sulfanylethyl) (E)-but-2-enedioate

Systemtic Name: O1-(6-methylheptyl) O4-(2-sulfanylethyl) (E)-but-2-enedioate Openeye Name: O1-(6-methylheptyl) O4-(2-sulfanylethyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-(2-mercaptoethyl) ester O1-(6-methylheptyl) ester IUPAC Name: 1-O-(6-methylheptyl) 4-O-(2-sulfanylethyl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-(2-mercaptoethyl) ester O1-(6-methylheptyl) ester Formula: C14H24O4S MolecularWeight: 288.40296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C=CC(=O)OCCS

Isomeric SMILES

CC(C)CCCCCOC(=O)/C=C/C(=O)OCCS

InChI

InChI=1S/C14H24O4S/c1-12(2)6-4-3-5-9-17-13(15)7-8-14(16)18-10-11-19/h7-8,12,19H,3-6,9-11H2,1-2H3/b8-7+