5-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-4-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-4-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-4-carboxylic acid CAS Name: 5-(2-carboxyethyl)-6-decoxy-9-oxo-4-xanthenecarboxylic acid IUPAC Name: 5-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-4-carboxylic acid Traditional Name: 5-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-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/c1-2-3-4-5-6-7-8-9-17-33-22-15-13-20-24(30)19-11-10-12-21(27(31)32)26(19)34-25(20)18(22)14-16-23(28)29/h10-13,15H,2-9,14,16-17H2,1H3,(H,28,29)(H,31,32)