7-[[4-azanyl-5-sulfo-2-(trioxidanylsulfanylmethylamino)phenyl]diazenyl]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 7-[[4-azanyl-5-sulfo-2-(trioxidanylsulfanylmethylamino)phenyl]diazenyl]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 7-[4-amino-5-sulfo-2-(trioxidanylsulfanylmethylamino)phenyl]azo-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 7-[4-amino-5-sulfo-2-[(trioxidanylthio)methylamino]phenyl]azo-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 7-[[4-amino-5-sulfo-2-(trioxidanylsulfanylmethylamino)phenyl]diazenyl]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 7-[4-amino-5-sulfo-2-[(trioxidanylthio)methylamino]phenyl]azo-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C17H16N4O12S4 MolecularWeight: 596.58854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=CC(=C(C=C3NCSOOO)N)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=CC(=C(C=C3NCSOOO)N)S(=O)(=O)O)SOOO

InChI

InChI=1S/C17H16N4O12S4/c18-12-6-13(19-8-34-32-30-22)14(7-17(12)37(27,28)29)21-20-9-4-11-10(15(5-9)35-33-31-23)2-1-3-16(11)36(24,25)26/h1-7,19,22-23H,8,18H2,(H,24,25,26)(H,27,28,29)