5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-(2-carboxy-4-oxo-chromen-5-yl)oxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[2-[2-acetamido-3-(nitrosothio)-1-oxopropoxy]-3-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxy]propoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[2-(2-acetamido-3-nitrososulfanylpropanoyl)oxy-3-(2-carboxy-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[2-[2-acetamido-3-(nitrosothio)propanoyl]oxy-3-(2-carboxy-4-keto-chromen-5-yl)oxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C28H22N2O14S MolecularWeight: 642.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSN=O)C(=O)OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O)COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O

Isomeric SMILES

CC(=O)NC(CSN=O)C(=O)OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O)COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O

InChI

InChI=1S/C28H22N2O14S/c1-13(31)29-15(12-45-30-39)28(38)42-14(10-40-18-4-2-6-20-24(18)16(32)8-22(43-20)26(34)35)11-41-19-5-3-7-21-25(19)17(33)9-23(44-21)27(36)37/h2-9,14-15H,10-12H2,1H3,(H,29,31)(H,34,35)(H,36,37)