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

Systemtic Name: 5-cyclohexyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Openeye Name: 5-cyclohexyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate CAS Name: 5-cyclohexyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate IUPAC Name: 5-cyclohexyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Traditional Name: 5-cyclohexyl-3,4-bis(2,3-dicarboxylatophenyl)phthalate Formula: C30H18O12-6 MolecularWeight: 570.45672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(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

C1CCC(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/C30H24O12/c31-25(32)16-10-4-8-14(21(16)28(37)38)20-18(13-6-2-1-3-7-13)12-19(27(35)36)24(30(41)42)23(20)15-9-5-11-17(26(33)34)22(15)29(39)40/h4-5,8-13H,1-3,6-7H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/p-6