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4-azanyl-3-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

4-azanyl-3-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name:4-azanyl-3-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Openeye Name:4-amino-3-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]azo-naphthalene-1-sulfonic acid
CAS Name:4-amino-3-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]azo-1-naphthalenesulfonic acid
IUPAC Name:4-amino-3-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Traditional Name:4-amino-3-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]azo-naphthalene-1-sulfonic acid
Formula: C18H17N3O9S3
MolecularWeight: 515.53728
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOSOOO)S(=O)(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOSOOO)S(=O)(=O)O


InChI

InChI=1S/C18H17N3O9S3/c19-18-15-4-2-1-3-14(15)17(33(25,26)27)11-16(18)21-20-12-5-7-13(8-6-12)32(23,24)10-9-28-31-30-29-22/h1-8,11,22H,9-10,19H2,(H,25,26,27)


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