disodium 2-azanyl-4-(propanoylamino)-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzoate

Systemtic Name: disodium 2-azanyl-4-(propanoylamino)-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzoate Openeye Name: disodium 2-amino-4-(propanoylamino)-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-benzoate CAS Name: disodium 2-amino-4-(1-oxopropylamino)-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azobenzoate IUPAC Name: disodium 2-amino-4-(propanoylamino)-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzoate Traditional Name: disodium 2-amino-4-propionamido-5-[4-(2-sulfatoethylsulfonyl)phenyl]azo-benzoate Formula: C18H18N4Na2O9S2 MolecularWeight: 544.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C(=C1)N)C(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(=O)NC1=C(C=C(C(=C1)N)C(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H20N4O9S2.2Na/c1-2-17(23)20-15-10-14(19)13(18(24)25)9-16(15)22-21-11-3-5-12(6-4-11)32(26,27)8-7-31-33(28,29)30;;/h3-6,9-10H,2,7-8,19H2,1H3,(H,20,23)(H,24,25)(H,28,29,30);;/q;2*+1/p-2