O4-ethyl O1-methyl 2-(4-nitrophenyl)sulfanylbutanedioate

Systemtic Name: O4-ethyl O1-methyl 2-(4-nitrophenyl)sulfanylbutanedioate Openeye Name: O4-ethyl O1-methyl 2-(4-nitrophenyl)sulfanylbutanedioate CAS Name: 2-[(4-nitrophenyl)thio]butanedioic acid O4-ethyl ester O1-methyl ester IUPAC Name: 4-O-ethyl 1-O-methyl 2-(4-nitrophenyl)sulfanylbutanedioate Traditional Name: 2-[(4-nitrophenyl)thio]succinic acid O4-ethyl ester O1-methyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c1-3-20-12(15)8-11(13(16)19-2)21-10-6-4-9(5-7-10)14(17)18/h4-7,11H,3,8H2,1-2H3