3-(5-ethoxycarbonyl-3-oxidanyl-9-oxidanylidene-xanthen-4-yl)propanoic acid

Systemtic Name: 3-(5-ethoxycarbonyl-3-oxidanyl-9-oxidanylidene-xanthen-4-yl)propanoic acid Openeye Name: 3-(5-ethoxycarbonyl-3-hydroxy-9-oxo-xanthen-4-yl)propanoic acid CAS Name: 3-(5-ethoxycarbonyl-3-hydroxy-9-oxo-4-xanthenyl)propanoic acid IUPAC Name: 3-(5-ethoxycarbonyl-3-hydroxy-9-oxoxanthen-4-yl)propanoic acid Traditional Name: 3-(5-carbethoxy-3-hydroxy-9-keto-xanthen-4-yl)propionic acid Formula: C19H16O7 MolecularWeight: 356.32614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC2=C1OC3=C(C2=O)C=CC(=C3CCC(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC2=C1OC3=C(C2=O)C=CC(=C3CCC(=O)O)O

InChI

InChI=1S/C19H16O7/c1-2-25-19(24)13-5-3-4-11-16(23)12-6-8-14(20)10(7-9-15(21)22)17(12)26-18(11)13/h3-6,8,20H,2,7,9H2,1H3,(H,21,22)