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

Systemtic Name: 3-[(3-methyl-4-oxidanyl-naphthalen-1-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(4-hydroxy-3-methyl-1-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(4-hydroxy-3-methyl-1-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(4-hydroxy-3-methylnaphthalen-1-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(4-hydroxy-3-methyl-1-naphthyl)sulfonylamino]-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H17NO9S3 MolecularWeight: 523.55598

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO9S3/c1-12-9-19(14-5-2-3-6-16(14)21(12)23)33(25,26)22-13-10-17-15(20(11-13)34(27,28)29)7-4-8-18(17)32-31-30-24/h2-11,22-24H,1H3,(H,27,28,29)