5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hexoxy]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hexoxy]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hexoxy]-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hexoxy]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hexoxy]-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(2-carboxyethyl)-9-keto-6-[6-(4-methoxyphenyl)hexoxy]xanthene-2-carboxylic acid Formula: C30H30O8 MolecularWeight: 518.5544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H30O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h7-12,14-15,18H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,35)