7-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-4-carboxylic acid

Systemtic Name: 7-(2-carboxyethyl)-6-decoxy-9-oxidanylidene-xanthene-4-carboxylic acid Openeye Name: 7-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-4-carboxylic acid CAS Name: 7-(2-carboxyethyl)-6-decoxy-9-oxo-4-xanthenecarboxylic acid IUPAC Name: 7-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-4-carboxylic acid Traditional Name: 7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-carboxylic acid Formula: C27H32O7 MolecularWeight: 468.53878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=CC=C3C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=CC=C3C(=O)O)CCC(=O)O

InChI

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