4-propan-2-yl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 4-propan-2-yl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 4-isopropyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 4-propan-2-yl-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 4-propan-2-yl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 4-isopropyl-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C13H14O6S2 MolecularWeight: 330.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6S2/c1-8(2)13-7-11(21(15,16)17)6-9-5-10(20-19-18-14)3-4-12(9)13/h3-8,14H,1-2H3,(H,15,16,17)