8-[(3-aminophenyl)methylamino]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid

Systemtic Name: 8-[(3-aminophenyl)methylamino]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid Openeye Name: 8-[(3-aminophenyl)methylamino]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid CAS Name: 8-[(3-aminophenyl)methylamino]-3-(trioxidanylthio)naphthalene-1,6-disulfonic acid IUPAC Name: 8-[(3-aminophenyl)methylamino]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid Traditional Name: 8-[(3-aminobenzyl)amino]-3-(trioxidanylthio)naphthalene-1,6-disulfonic acid Formula: C17H16N2O9S3 MolecularWeight: 488.51194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O9S3/c18-12-3-1-2-10(4-12)9-19-15-8-14(30(21,22)23)6-11-5-13(29-28-27-20)7-16(17(11)15)31(24,25)26/h1-8,19-20H,9,18H2,(H,21,22,23)(H,24,25,26)