2H-chromen-2-yl 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: 2H-chromen-2-yl 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: 2H-chromen-2-yl 3-(3,5-dinitrobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]thio]-2-methylpropanoic acid 2H-1-benzopyran-2-yl ester IUPAC Name: 2H-chromen-2-yl 3-(3,5-dinitrobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(3,5-dinitrobenzoyl)thio]-2-methyl-propionic acid 2H-chromen-2-yl ester Formula: C20H16N2O8S MolecularWeight: 444.41464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C=CC3=CC=CC=C3O2

Isomeric SMILES

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H16N2O8S/c1-12(19(23)30-18-7-6-13-4-2-3-5-17(13)29-18)11-31-20(24)14-8-15(21(25)26)10-16(9-14)22(27)28/h2-10,12,18H,11H2,1H3