4-methyl-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-methyl-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid Openeye Name: 4-methyl-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid CAS Name: 4-methyl-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid IUPAC Name: 4-methyl-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid Traditional Name: 4-methyl-6-(2-sulfoxyethylsulfonyl)benzene-1,3-disulfonic acid Formula: C9H12O12S4 MolecularWeight: 440.44438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C9H12O12S4/c1-6-4-8(22(10,11)3-2-21-25(18,19)20)9(24(15,16)17)5-7(6)23(12,13)14/h4-5H,2-3H2,1H3,(H,12,13,14)(H,15,16,17)(H,18,19,20)