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

Systemtic Name: 3-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)-2-naphthyl]amino]benzenesulfonic acid CAS Name: 3-[[8-methoxy-7-methyl-6-(trioxidanylthio)-2-naphthalenyl]amino]benzenesulfonic acid IUPAC Name: 3-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[[8-methoxy-7-methyl-6-(trioxidanylthio)-2-naphthyl]amino]besylic acid Formula: C18H17NO7S2 MolecularWeight: 423.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1OC)NC3=CC(=CC=C3)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1OC)NC3=CC(=CC=C3)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H17NO7S2/c1-11-17(27-26-25-20)8-12-6-7-14(10-16(12)18(11)24-2)19-13-4-3-5-15(9-13)28(21,22)23/h3-10,19-20H,1-2H3,(H,21,22,23)