5-[3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-2-[4-(nitrooxymethyl)phenyl]carbonyloxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-2-[4-(nitrooxymethyl)phenyl]carbonyloxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[3-(2-carboxy-4-oxo-chromen-5-yl)oxy-2-[4-(nitrooxymethyl)benzoyl]oxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[3-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxy]-2-[[4-(nitrooxymethyl)phenyl]-oxomethoxy]propoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-[4-(nitrooxymethyl)benzoyl]oxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[3-(2-carboxy-4-keto-chromen-5-yl)oxy-2-[4-(nitrooxymethyl)benzoyl]oxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C31H21NO15 MolecularWeight: 647.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OC(=O)C5=CC=C(C=C5)CO[N+](=O)[O-])C(=O)C=C(O2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OC(=O)C5=CC=C(C=C5)CO[N+](=O)[O-])C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C31H21NO15/c33-19-11-25(29(35)36)46-23-5-1-3-21(27(19)23)42-14-18(45-31(39)17-9-7-16(8-10-17)13-44-32(40)41)15-43-22-4-2-6-24-28(22)20(34)12-26(47-24)30(37)38/h1-12,18H,13-15H2,(H,35,36)(H,37,38)