3-[(6-methyl-5-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-[(6-methyl-5-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(5-hydroxy-6-methyl-2-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(5-hydroxy-6-methyl-2-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(5-hydroxy-6-methylnaphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(5-hydroxy-6-methyl-2-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=C(C=C1)C=C(C=C2)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)O

Isomeric SMILES

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

InChI

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