4-azanyl-3-[(2,5-disulfophenyl)diazenyl]-5-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-3-[(2,5-disulfophenyl)diazenyl]-5-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Openeye Name: 4-amino-3-(2,5-disulfophenyl)azo-5-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid CAS Name: 4-amino-3-(2,5-disulfophenyl)azo-5-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-3-(2,5-disulfophenyl)azo-5-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Formula: C16H17N3O13S4 MolecularWeight: 587.57848

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=C(C=C(C2C(C(=C1S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)N)O)S(=O)(=O)O

Isomeric SMILES

C1C2C=C(C=C(C2C(C(=C1S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)N)O)S(=O)(=O)O

InChI

InChI=1S/C16H17N3O13S4/c17-15-14-7(3-9(6-11(14)20)34(24,25)26)4-13(36(30,31)32)16(15)19-18-10-5-8(33(21,22)23)1-2-12(10)35(27,28)29/h1-3,5-7,14-15,20H,4,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)