8-[(phenylmethyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 8-[(phenylmethyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 8-(benzylamino)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 8-[(phenylmethyl)amino]-3-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 8-(benzylamino)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 8-(benzylamino)-3-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C17H15NO6S2 MolecularWeight: 393.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=CC3=CC(=CC(=C32)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=CC3=CC(=CC(=C32)S(=O)(=O)O)SOOO

InChI

InChI=1S/C17H15NO6S2/c19-23-24-25-14-9-13-7-4-8-15(17(13)16(10-14)26(20,21)22)18-11-12-5-2-1-3-6-12/h1-10,18-19H,11H2,(H,20,21,22)