3-(7-methoxycarbonyl-3-oxidanyl-9-oxidanylidene-xanthen-4-yl)propanoic acid

Systemtic Name: 3-(7-methoxycarbonyl-3-oxidanyl-9-oxidanylidene-xanthen-4-yl)propanoic acid Openeye Name: 3-(3-hydroxy-7-methoxycarbonyl-9-oxo-xanthen-4-yl)propanoic acid CAS Name: 3-(3-hydroxy-7-methoxycarbonyl-9-oxo-4-xanthenyl)propanoic acid IUPAC Name: 3-(3-hydroxy-7-methoxycarbonyl-9-oxoxanthen-4-yl)propanoic acid Traditional Name: 3-(7-carbomethoxy-3-hydroxy-9-keto-xanthen-4-yl)propionic acid Formula: C18H14O7 MolecularWeight: 342.29956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3CCC(=O)O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3CCC(=O)O)O

InChI

InChI=1S/C18H14O7/c1-24-18(23)9-2-6-14-12(8-9)16(22)11-3-5-13(19)10(17(11)25-14)4-7-15(20)21/h2-3,5-6,8,19H,4,7H2,1H3,(H,20,21)