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

Systemtic Name: 4-methyl-6-(2-methyl-4-sulfo-phenoxy)benzene-1,3-disulfonic acid Openeye Name: 4-methyl-6-(2-methyl-4-sulfo-phenoxy)benzene-1,3-disulfonic acid CAS Name: 4-methyl-6-(2-methyl-4-sulfophenoxy)benzene-1,3-disulfonic acid IUPAC Name: 4-methyl-6-(2-methyl-4-sulfophenoxy)benzene-1,3-disulfonic acid Traditional Name: 4-methyl-6-(2-methyl-4-sulfo-phenoxy)benzene-1,3-disulfonic acid Formula: C14H14O10S3 MolecularWeight: 438.44996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)OC2=C(C=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)OC2=C(C=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C14H14O10S3/c1-8-5-10(25(15,16)17)3-4-11(8)24-12-6-9(2)13(26(18,19)20)7-14(12)27(21,22)23/h3-7H,1-2H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)