3-[(8-bromanyl-5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-[(8-bromanyl-5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(8-bromo-6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H16BrNO9S3 MolecularWeight: 602.45204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C=C1O)Br)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C=C1O)Br)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O

InChI

InChI=1S/C21H16BrNO9S3/c1-11-14-6-5-13(9-16(14)18(22)10-19(11)24)34(26,27)23-12-7-17-15(21(8-12)35(28,29)30)3-2-4-20(17)33-32-31-25/h2-10,23-25H,1H3,(H,28,29,30)