2-[3-bis(2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphanylpropyl-(2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphanyl]-2-propyl-propanedioic acid

Systemtic Name: 2-[3-bis(2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphanylpropyl-(2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphanyl]-2-propyl-propanedioic acid Openeye Name: 2-[3-[bis(1,1-dicarboxybutyl)phosphanyl]propyl-(1,1-dicarboxybutyl)phosphanyl]-2-propyl-propanedioic acid CAS Name: 2-[3-bis(2-carboxy-1-hydroxy-1-oxopentan-2-yl)phosphinopropyl-(2-carboxy-1-hydroxy-1-oxopentan-2-yl)phosphino]-2-propylpropanedioic acid IUPAC Name: 2-[3-bis(2-carboxy-1-hydroxy-1-oxopentan-2-yl)phosphanylpropyl-(2-carboxy-1-hydroxy-1-oxopentan-2-yl)phosphanyl]-2-propylpropanedioic acid Traditional Name: 2-[3-[bis(1,1-dicarboxybutyl)phosphino]propyl-(1,1-dicarboxybutyl)phosphino]-2-propyl-malonic acid Formula: C27H42O16P2 MolecularWeight: 684.560302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)(C(=O)O)P(CCCP(C(CCC)(C(=O)O)C(=O)O)C(CCC)(C(=O)O)C(=O)O)C(CCC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)(C(=O)O)P(CCCP(C(CCC)(C(=O)O)C(=O)O)C(CCC)(C(=O)O)C(=O)O)C(CCC)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H42O16P2/c1-5-10-24(16(28)29,17(30)31)44(25(11-6-2,18(32)33)19(34)35)14-9-15-45(26(12-7-3,20(36)37)21(38)39)27(13-8-4,22(40)41)23(42)43/h5-15H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)