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

Systemtic Name: 5-cyclopentyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Openeye Name: 5-cyclopentyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate CAS Name: 5-cyclopentyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate IUPAC Name: 5-cyclopentyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Traditional Name: 5-cyclopentyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Formula: C29H16O12-6 MolecularWeight: 556.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)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

C1CCC(C1)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/C29H22O12/c30-24(31)15-9-3-7-13(20(15)27(36)37)19-17(12-5-1-2-6-12)11-18(26(34)35)23(29(40)41)22(19)14-8-4-10-16(25(32)33)21(14)28(38)39/h3-4,7-12H,1-2,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)/p-6