3,3-bis(hydroxymethyl)-2,4-bis(2-oxidanylidenechromen-3-yl)pentanedioic acid

Systemtic Name: 3,3-bis(hydroxymethyl)-2,4-bis(2-oxidanylidenechromen-3-yl)pentanedioic acid Openeye Name: 3,3-bis(hydroxymethyl)-2,4-bis(2-oxochromen-3-yl)pentanedioic acid CAS Name: 3,3-bis(hydroxymethyl)-2,4-bis(2-oxo-1-benzopyran-3-yl)pentanedioic acid IUPAC Name: 3,3-bis(hydroxymethyl)-2,4-bis(2-oxochromen-3-yl)pentanedioic acid Traditional Name: 2,4-bis(2-ketochromen-3-yl)-3,3-dimethylol-glutaric acid Formula: C25H20O10 MolecularWeight: 480.4203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(C(=O)O)C(CO)(CO)C(C3=CC4=CC=CC=C4OC3=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(C(=O)O)C(CO)(CO)C(C3=CC4=CC=CC=C4OC3=O)C(=O)O

InChI

InChI=1S/C25H20O10/c26-11-25(12-27,19(21(28)29)15-9-13-5-1-3-7-17(13)34-23(15)32)20(22(30)31)16-10-14-6-2-4-8-18(14)35-24(16)33/h1-10,19-20,26-27H,11-12H2,(H,28,29)(H,30,31)