2-(3-carboxy-5,6,7-trimethoxy-1-oxidanylidene-3,4-dihydroisochromen-4-yl)butanedioic acid

Systemtic Name: 2-(3-carboxy-5,6,7-trimethoxy-1-oxidanylidene-3,4-dihydroisochromen-4-yl)butanedioic acid Openeye Name: 2-(3-carboxy-5,6,7-trimethoxy-1-oxo-isochroman-4-yl)butanedioic acid CAS Name: 2-(3-carboxy-5,6,7-trimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acid IUPAC Name: 2-(3-carboxy-5,6,7-trimethoxy-1-oxo-3,4-dihydroisochromen-4-yl)butanedioic acid Traditional Name: 2-(3-carboxy-1-keto-5,6,7-trimethoxy-isochroman-4-yl)succinic acid Formula: C17H18O11 MolecularWeight: 398.31822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(C(OC(=O)C2=C1)C(=O)O)C(CC(=O)O)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(C(OC(=O)C2=C1)C(=O)O)C(CC(=O)O)C(=O)O)OC)OC

InChI

InChI=1S/C17H18O11/c1-25-8-4-7-11(13(27-3)12(8)26-2)10(6(15(20)21)5-9(18)19)14(16(22)23)28-17(7)24/h4,6,10,14H,5H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)