3-[1-(2,3-dicarboxyphenoxy)-4-(phenylcarbonyl)cyclohexa-2,5-dien-1-yl]oxyphthalic acid

Systemtic Name: 3-[1-(2,3-dicarboxyphenoxy)-4-(phenylcarbonyl)cyclohexa-2,5-dien-1-yl]oxyphthalic acid Openeye Name: 3-[4-benzoyl-1-(2,3-dicarboxyphenoxy)cyclohexa-2,5-dien-1-yl]oxyphthalic acid CAS Name: 3-[[4-benzoyl-1-(2,3-dicarboxyphenoxy)-1-cyclohexa-2,5-dienyl]oxy]phthalic acid IUPAC Name: 3-[4-benzoyl-1-(2,3-dicarboxyphenoxy)cyclohexa-2,5-dien-1-yl]oxyphthalic acid Traditional Name: 3-[4-benzoyl-1-(2,3-dicarboxyphenoxy)cyclohexa-2,5-dien-1-yl]oxyphthalic acid Formula: C29H20O11 MolecularWeight: 544.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(OC3=CC=CC(=C3C(=O)O)C(=O)O)OC4=CC=CC(=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(OC3=CC=CC(=C3C(=O)O)C(=O)O)OC4=CC=CC(=C4C(=O)O)C(=O)O

InChI

InChI=1S/C29H20O11/c30-24(16-6-2-1-3-7-16)17-12-14-29(15-13-17,39-20-10-4-8-18(25(31)32)22(20)27(35)36)40-21-11-5-9-19(26(33)34)23(21)28(37)38/h1-15,17H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)