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

Systemtic Name: 4-[1-(3,4-dicarboxyphenoxy)-4-(phenylcarbonyl)cyclohexa-2,5-dien-1-yl]oxyphthalic acid Openeye Name: 4-[4-benzoyl-1-(3,4-dicarboxyphenoxy)cyclohexa-2,5-dien-1-yl]oxyphthalic acid CAS Name: 4-[[4-benzoyl-1-(3,4-dicarboxyphenoxy)-1-cyclohexa-2,5-dienyl]oxy]phthalic acid IUPAC Name: 4-[4-benzoyl-1-(3,4-dicarboxyphenoxy)cyclohexa-2,5-dien-1-yl]oxyphthalic acid Traditional Name: 4-[4-benzoyl-1-(3,4-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(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

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