3-[[7-methyl-8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[7-methyl-8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[8-hydroxy-7-methyl-6-(trioxidanylsulfanyl)-2-naphthyl]amino]benzenesulfonic acid CAS Name: 3-[[8-hydroxy-7-methyl-6-(trioxidanylthio)-2-naphthalenyl]amino]benzenesulfonic acid IUPAC Name: 3-[[8-hydroxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[[8-hydroxy-7-methyl-6-(trioxidanylthio)-2-naphthyl]amino]besylic acid Formula: C17H15NO7S2 MolecularWeight: 409.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1O)NC3=CC(=CC=C3)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1O)NC3=CC(=CC=C3)S(=O)(=O)O)SOOO

InChI

InChI=1S/C17H15NO7S2/c1-10-16(26-25-24-20)7-11-5-6-13(9-15(11)17(10)19)18-12-3-2-4-14(8-12)27(21,22)23/h2-9,18-20H,1H3,(H,21,22,23)