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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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