[3-(1,3-dithiolan-2-ylidene)-4-methoxy-4-oxidanylidene-but-1-en-2-yl] 4-nitrobenzoate

Systemtic Name: [3-(1,3-dithiolan-2-ylidene)-4-methoxy-4-oxidanylidene-but-1-en-2-yl] 4-nitrobenzoate Openeye Name: [2-(1,3-dithiolan-2-ylidene)-3-methoxy-1-methylene-3-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(1,3-dithiolan-2-ylidene)-4-methoxy-4-oxobut-1-en-2-yl] ester IUPAC Name: [3-(1,3-dithiolan-2-ylidene)-4-methoxy-4-oxobut-1-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-[1-(1,3-dithiolan-2-ylidene)-2-keto-2-methoxy-ethyl]vinyl ester Formula: C15H13NO6S2 MolecularWeight: 367.39682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1SCCS1)C(=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=C1SCCS1)C(=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S2/c1-9(12(14(18)21-2)15-23-7-8-24-15)22-13(17)10-3-5-11(6-4-10)16(19)20/h3-6H,1,7-8H2,2H3