7-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(2-carboxyethyl)-6-decoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-2-carboxylic acid Formula: C27H32O7 MolecularWeight: 468.53878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-14-33-23-17-24-21(15-18(23)11-13-25(28)29)26(30)20-16-19(27(31)32)10-12-22(20)34-24/h10,12,15-17H,2-9,11,13-14H2,1H3,(H,28,29)(H,31,32)