6-[2-(4-carboxy-3-methyl-5-oxidanyl-phenoxy)carbonyl-3-oxidanyl-5-pentadecyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[2-(4-carboxy-3-methyl-5-oxidanyl-phenoxy)carbonyl-3-oxidanyl-5-pentadecyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[2-(4-carboxy-3-hydroxy-5-methyl-phenoxy)carbonyl-3-hydroxy-5-pentadecyl-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[2-[(4-carboxy-3-hydroxy-5-methylphenoxy)-oxomethyl]-3-hydroxy-5-pentadecylphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[2-(4-carboxy-3-hydroxy-5-methylphenoxy)carbonyl-3-hydroxy-5-pentadecylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-[2-(4-carboxy-3-hydroxy-5-methyl-phenoxy)carbonyl-3-hydroxy-5-pentadecyl-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C36H50O13 MolecularWeight: 690.7744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O

InChI

InChI=1S/C36H50O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(37)28(35(46)47-23-17-21(2)27(33(42)43)25(38)20-23)26(19-22)48-36-31(41)29(39)30(40)32(49-36)34(44)45/h17-20,29-32,36-41H,3-16H2,1-2H3,(H,42,43)(H,44,45)