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

Systemtic Name: 4-azanyl-5-oxidanyl-3-[(4-sulfophenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Openeye Name: 4-amino-5-hydroxy-3-(4-sulfophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid CAS Name: 4-amino-5-hydroxy-3-(4-sulfophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-5-hydroxy-3-[(4-sulfophenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-5-hydroxy-3-(4-sulfophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Formula: C16H17N3O10S3 MolecularWeight: 507.51528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O10S3/c17-15-14-8(5-11(7-12(14)20)31(24,25)26)6-13(32(27,28)29)16(15)19-18-9-1-3-10(4-2-9)30(21,22)23/h1-5,7-8,14-15,20H,6,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29)