2-[3-(hydroxymethyl)-6-methoxy-1-oxidanylidene-isochromen-8-yl]oxyethanoic acid

Systemtic Name: 2-[3-(hydroxymethyl)-6-methoxy-1-oxidanylidene-isochromen-8-yl]oxyethanoic acid Openeye Name: 2-[3-(hydroxymethyl)-6-methoxy-1-oxo-isochromen-8-yl]oxyacetic acid CAS Name: 2-[[3-(hydroxymethyl)-6-methoxy-1-oxo-2-benzopyran-8-yl]oxy]acetic acid IUPAC Name: 2-[3-(hydroxymethyl)-6-methoxy-1-oxoisochromen-8-yl]oxyacetic acid Traditional Name: 2-(1-keto-6-methoxy-3-methylol-isochromen-8-yl)oxyacetic acid Formula: C13H12O7 MolecularWeight: 280.23018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(OC2=O)CO)OCC(=O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(OC2=O)CO)OCC(=O)O

InChI

InChI=1S/C13H12O7/c1-18-8-2-7-3-9(5-14)20-13(17)12(7)10(4-8)19-6-11(15)16/h2-4,14H,5-6H2,1H3,(H,15,16)