tetrasodium [(E)-heptadec-1-enoxy]-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium [(E)-heptadec-1-enoxy]-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tetrasodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tetrasodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tetrasodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Formula: C72H140Na4O28P8-8 MolecularWeight: 1793.614368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=COP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCCCCCCCCCCC=COP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCCCCCCCCCCC=COP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCCCCCCCCCCC=COP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/OP(=O)([O-])C(P(=O)([O-])[O-])O.CCCCCCCCCCCCCCC/C=C/OP(=O)([O-])C(P(=O)([O-])[O-])O.CCCCCCCCCCCCCCC/C=C/OP(=O)([O-])C(P(=O)([O-])[O-])O.CCCCCCCCCCCCCCC/C=C/OP(=O)([O-])C(P(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C18H38O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-27(23,24)18(19)26(20,21)22;;;;/h4*16-19H,2-15H2,1H3,(H,23,24)(H2,20,21,22);;;;/q;;;;4*+1/p-12/b4*17-16+;;;;