5-[2-[(2-carboxy-4-oxidanylidene-chromen-5-yl)oxymethyl]-2-(chloromethyl)-3-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[2-[(2-carboxy-4-oxidanylidene-chromen-5-yl)oxymethyl]-2-(chloromethyl)-3-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[2-[(2-carboxy-4-oxo-chromen-5-yl)oxymethyl]-2-(chloromethyl)-3-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[2-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxymethyl]-2-(chloromethyl)-3-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[2-[(2-carboxy-4-oxochromen-5-yl)oxymethyl]-2-(chloromethyl)-3-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[2-[(2-carboxy-4-keto-chromen-5-yl)oxymethyl]-2-(chloromethyl)-3-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C25H19ClO11 MolecularWeight: 530.86476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(CO)(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)CCl)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(CO)(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)CCl)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C25H19ClO11/c26-9-25(10-27,11-34-15-3-1-5-17-21(15)13(28)7-19(36-17)23(30)31)12-35-16-4-2-6-18-22(16)14(29)8-20(37-18)24(32)33/h1-8,27H,9-12H2,(H,30,31)(H,32,33)