3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexyl-phthalic acid

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexyl-phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexyl-phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexylphthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexylphthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-dihexyl-phthalic acid Formula: C36H38O12 MolecularWeight: 662.67972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CCCCCC

InChI

InChI=1S/C36H38O12/c1-3-5-7-9-13-19-20(14-10-8-6-4-2)29(35(45)46)30(36(47)48)28(22-16-12-18-24(32(39)40)27(22)34(43)44)25(19)21-15-11-17-23(31(37)38)26(21)33(41)42/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)