sodium; 2-azanyl-4,6-dinitro-phenol; 4-azanyl-3-methyl-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-1,3-disulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; 4-nitroaniline; 3-oxidanylphenolate

Systemtic Name: sodium; 2-azanyl-4,6-dinitro-phenol; 4-azanyl-3-methyl-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-1,3-disulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; 4-nitroaniline; 3-oxidanylphenolate Openeye Name: sodium; 2-amino-4,6-dinitro-phenol; 4-amino-5-hydroxy-naphthalene-1,3-disulfonic acid; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; 4-amino-3-methyl-benzenesulfonic acid; 3-hydroxyphenolate; 4-nitroaniline CAS Name: sodium; 2-amino-4,6-dinitrophenol; 4-amino-5-hydroxynaphthalene-1,3-disulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; 3-hydroxyphenolate; 4-nitroaniline IUPAC Name: sodium; 2-amino-4,6-dinitrophenol; 4-amino-5-hydroxynaphthalene-1,3-disulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; 3-hydroxyphenolate; 4-nitroaniline Traditional Name: sodium; 2-amino-4,6-dinitro-phenol; 4-amino-5-hydroxy-naphthalene-1,3-disulfonic acid; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; 4-amino-3-methyl-besylic acid; 3-hydroxyphenolate; (4-nitrophenyl)amine Formula: C45H43N8NaO26S5 MolecularWeight: 1295.17569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)O)[O-].C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)N.C1=CC(=CC=C1N)[N+](=O)[O-].C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)O)[O-].C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)N.C1=CC(=CC=C1N)[N+](=O)[O-].C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-].[Na+]

InChI

InChI=1S/2C10H9NO7S2.C7H9NO3S.C6H5N3O5.C6H6N2O2.C6H6O2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;1-5-4-6(12(9,10)11)2-3-7(5)8;7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;7-5-1-3-6(4-2-5)8(9)10;7-5-2-1-3-6(8)4-5;/h2*1-4,12H,11H2,(H,13,14,15)(H,16,17,18);2-4H,8H2,1H3,(H,9,10,11);1-2,10H,7H2;1-4H,7H2;1-4,7-8H;/q;;;;;;+1/p-1