3,7-dimethyl-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3,7-dimethyl-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3,7-dimethyl-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3,7-dimethyl-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3,7-dimethyl-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3,7-dimethyl-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C12H12O6S2 MolecularWeight: 316.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2C(=C1)SOOO)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C(C=C2C(=C1)SOOO)C)S(=O)(=O)O

InChI

InChI=1S/C12H12O6S2/c1-7-4-10-9(11(5-7)19-18-17-13)3-8(2)6-12(10)20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)