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

Systemtic Name: 5-cyclopropyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Openeye Name: 5-cyclopropyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate CAS Name: 5-cyclopropyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate IUPAC Name: 5-cyclopropyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Traditional Name: 5-cyclopropyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Formula: C27H12O12-6 MolecularWeight: 528.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=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

C1CC1C2=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/C27H18O12/c28-22(29)13-5-1-3-11(18(13)25(34)35)17-15(10-7-8-10)9-16(24(32)33)21(27(38)39)20(17)12-4-2-6-14(23(30)31)19(12)26(36)37/h1-6,9-10H,7-8H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)/p-6