3,4-bis(2,3-dicarboxylatophenyl)-5-methyl-phthalate

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-methyl-phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-methyl-phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-methylphthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-methylphthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-methyl-phthalate Formula: C25H10O12-6 MolecularWeight: 502.3397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H16O12/c1-9-8-14(22(30)31)19(25(36)37)18(11-5-3-7-13(21(28)29)17(11)24(34)35)15(9)10-4-2-6-12(20(26)27)16(10)23(32)33/h2-8H,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/p-6