3-[(4-azanyl-3-methyl-naphthalen-1-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-[(4-azanyl-3-methyl-naphthalen-1-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(4-amino-3-methyl-1-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(4-amino-3-methyl-1-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(4-amino-3-methylnaphthalen-1-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(4-amino-3-methyl-1-naphthyl)sulfonylamino]-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H18N2O8S3 MolecularWeight: 522.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)N

InChI

InChI=1S/C21H18N2O8S3/c1-12-9-19(14-5-2-3-6-16(14)21(12)22)33(25,26)23-13-10-17-15(20(11-13)34(27,28)29)7-4-8-18(17)32-31-30-24/h2-11,23-24H,22H2,1H3,(H,27,28,29)