disodium 11-[[6-[2-(2-methanoylphenyl)-2-sulfonato-hydrazinyl]pyridin-3-yl]carbonylamino]undecanoate

Systemtic Name: disodium 11-[[6-[2-(2-methanoylphenyl)-2-sulfonato-hydrazinyl]pyridin-3-yl]carbonylamino]undecanoate Openeye Name: disodium 11-[[6-[2-(2-formylphenyl)-2-sulfonato-hydrazino]pyridine-3-carbonyl]amino]undecanoate CAS Name: disodium 11-[[[6-[2-(2-formylphenyl)-2-sulfonatohydrazinyl]-3-pyridinyl]-oxomethyl]amino]undecanoate IUPAC Name: disodium 11-[[6-[2-(2-formylphenyl)-2-sulfonatohydrazinyl]pyridine-3-carbonyl]amino]undecanoate Traditional Name: disodium 11-[[6-[N'-(2-formylphenyl)-N'-sulfonato-hydrazino]nicotinoyl]amino]undecanoate Formula: C24H30N4Na2O7S MolecularWeight: 564.56214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)N(NC2=NC=C(C=C2)C(=O)NCCCCCCCCCCC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C=O)N(NC2=NC=C(C=C2)C(=O)NCCCCCCCCCCC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H32N4O7S.2Na/c29-18-20-11-8-9-12-21(20)28(36(33,34)35)27-22-15-14-19(17-26-22)24(32)25-16-10-6-4-2-1-3-5-7-13-23(30)31;;/h8-9,11-12,14-15,17-18H,1-7,10,13,16H2,(H,25,32)(H,26,27)(H,30,31)(H,33,34,35);;/q;2*+1/p-2