5-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(2-carboxyethyl)-6-decoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(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(C2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)CCC(=O)O

InChI

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