1-[(3-acetyloxy-4-methyl-2-oxidanylidene-chromen-7-yl)amino]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[(3-acetyloxy-4-methyl-2-oxidanylidene-chromen-7-yl)amino]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[(3-acetoxy-4-methyl-2-oxo-chromen-7-yl)amino]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[(3-acetyloxy-4-methyl-2-oxo-1-benzopyran-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[(3-acetyloxy-4-methyl-2-oxochromen-7-yl)amino]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[(3-acetoxy-2-keto-4-methyl-chromen-7-yl)amino]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)NN3C(=O)CC(C3=O)S(=O)(=O)O)OC(=O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)NN3C(=O)CC(C3=O)S(=O)(=O)O)OC(=O)C

InChI

InChI=1S/C16H14N2O9S/c1-7-10-4-3-9(5-11(10)27-16(22)14(7)26-8(2)19)17-18-13(20)6-12(15(18)21)28(23,24)25/h3-5,12,17H,6H2,1-2H3,(H,23,24,25)