disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)ethenyl]phosphonic acid

Systemtic Name: disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)ethenyl]phosphonic acid Openeye Name: disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)vinyl]phosphonic acid CAS Name: disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)ethenyl]phosphonic acid IUPAC Name: disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)ethenyl]phosphonic acid Traditional Name: disodium [(Z)-1-phosphonato-2-(3-tridec-1-ynylphenyl)vinyl]phosphonic acid Formula: C21H30Na2O6P2 MolecularWeight: 486.386362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC(=CC=C1)C=C(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC(=CC=C1)/C=C(\P(=O)(O)O)/P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H32O6P2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-21(28(22,23)24)29(25,26)27;;/h13,15-18H,2-11H2,1H3,(H2,22,23,24)(H2,25,26,27);;/q;2*+1/p-2