1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isochromene-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromene-3-carboxylic acid CAS Name: 1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-2-benzopyran-3-carboxylic acid IUPAC Name: 1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-1-keto-4-(3,4,5-trimethoxyphenyl)isochromene-3-carboxylic acid Formula: C26H22O8 MolecularWeight: 462.44808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22O8/c1-30-20-11-16(12-21(31-2)23(20)32-3)22-18-10-9-17(33-14-15-7-5-4-6-8-15)13-19(18)26(29)34-24(22)25(27)28/h4-13H,14H2,1-3H3,(H,27,28)