disodium 4-acetamido-2-azanyl-5-[[4-(3-sulfonatooxypropyl)phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4-acetamido-2-azanyl-5-[[4-(3-sulfonatooxypropyl)phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-acetamido-2-amino-5-[4-(3-sulfonatooxypropyl)phenyl]azo-benzenesulfonate CAS Name: disodium 4-acetamido-2-amino-5-[4-(3-sulfonatooxypropyl)phenyl]azobenzenesulfonate IUPAC Name: disodium 4-acetamido-2-amino-5-[[4-(3-sulfonatooxypropyl)phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-acetamido-2-amino-5-[4-(3-sulfatopropyl)phenyl]azo-besylate Formula: C17H18N4Na2O8S2 MolecularWeight: 516.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=CC=C(C=C2)CCCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=CC=C(C=C2)CCCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C17H20N4O8S2.2Na/c1-11(22)19-15-9-14(18)17(30(23,24)25)10-16(15)21-20-13-6-4-12(5-7-13)3-2-8-29-31(26,27)28;;/h4-7,9-10H,2-3,8,18H2,1H3,(H,19,22)(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2