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

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-bis(dicyclohexylphosphorylmethyl)phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-bis(dicyclohexylphosphorylmethyl)phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-bis(dicyclohexylphosphorylmethyl)phthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-bis(dicyclohexylphosphorylmethyl)phthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-bis(dicyclohexylphosphorylmethyl)phthalic acid Formula: C50H60O14P2 MolecularWeight: 946.950522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)P(=O)(CC2=C(C(=C(C(=C2C3=C(C(=CC=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CP(=O)(C5CCCCC5)C6CCCCC6)C7CCCCC7

Isomeric SMILES

C1CCC(CC1)P(=O)(CC2=C(C(=C(C(=C2C3=C(C(=CC=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CP(=O)(C5CCCCC5)C6CCCCC6)C7CCCCC7

InChI

InChI=1S/C50H60O14P2/c51-45(52)35-25-13-23-33(40(35)47(55)56)39-37(27-65(63,29-15-5-1-6-16-29)30-17-7-2-8-18-30)38(28-66(64,31-19-9-3-10-20-31)32-21-11-4-12-22-32)43(49(59)60)44(50(61)62)42(39)34-24-14-26-36(46(53)54)41(34)48(57)58/h13-14,23-26,29-32H,1-12,15-22,27-28H2,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)