sodium; benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; oxidanidyl-oxidanylidene-phenyl-phosphanium

Systemtic Name: sodium; benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; oxidanidyl-oxidanylidene-phenyl-phosphanium Openeye Name: sodium; hexane-1,6-diamine; isophthalic acid; oxido-oxo-phenyl-phosphonium CAS Name: sodium; benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; oxido-oxo-phenylphosphonium IUPAC Name: sodium; benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; oxido-oxo-phenylphosphanium Traditional Name: sodium; 6-aminohexylamine; isophthalic acid; keto-oxido-phenyl-phosphonium Formula: C20H27N2NaO6P+ MolecularWeight: 445.401711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](=O)[O-].C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCN)CCN.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)[P+](=O)[O-].C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCN)CCN.[Na+]

InChI

InChI=1S/C8H6O4.C6H16N2.C6H5O2P.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6-8;7-9(8)6-4-2-1-3-5-6;/h1-4H,(H,9,10)(H,11,12);1-8H2;1-5H;/q;;;+1