5-[2-(6-azanylhexanoylamino)-3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid hydrochloride

Systemtic Name: 5-[2-(6-azanylhexanoylamino)-3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid hydrochloride Openeye Name: 5-[2-(6-aminohexanoylamino)-3-(2-carboxy-4-oxo-chromen-5-yl)oxy-propoxy]-4-oxo-chromene-2-carboxylic acid hydrochloride CAS Name: 5-[2-[(6-amino-1-oxohexyl)amino]-3-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxy]propoxy]-4-oxo-1-benzopyran-2-carboxylic acid hydrochloride IUPAC Name: 5-[2-(6-aminohexanoylamino)-3-(2-carboxy-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylic acid hydrochloride Traditional Name: 5-[2-(6-aminohexanoylamino)-3-(2-carboxy-4-keto-chromen-5-yl)oxy-propoxy]-4-keto-chromene-2-carboxylic acid hydrochloride Formula: C29H29ClN2O11 MolecularWeight: 617.00036

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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)NC(=O)CCCCCN)C(=O)C=C(O2)C(=O)O.Cl

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)NC(=O)CCCCCN)C(=O)C=C(O2)C(=O)O.Cl

InChI

InChI=1S/C29H28N2O11.ClH/c30-11-3-1-2-10-25(34)31-16(14-39-19-6-4-8-21-26(19)17(32)12-23(41-21)28(35)36)15-40-20-7-5-9-22-27(20)18(33)13-24(42-22)29(37)38;/h4-9,12-13,16H,1-3,10-11,14-15,30H2,(H,31,34)(H,35,36)(H,37,38);1H