5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid

Systemtic Name: 5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid Openeye Name: 5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid CAS Name: 5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid IUPAC Name: 5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid Traditional Name: 5-cycloheptyl-3,4-bis(2,3-dicarboxyphenyl)phthalic acid Formula: C31H26O12 MolecularWeight: 590.53094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C(C(=C(C(=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C2=C(C(=C(C(=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C31H26O12/c32-26(33)17-11-5-9-15(22(17)29(38)39)21-19(14-7-3-1-2-4-8-14)13-20(28(36)37)25(31(42)43)24(21)16-10-6-12-18(27(34)35)23(16)30(40)41/h5-6,9-14H,1-4,7-8H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)