2-methyl-5-(4-methyl-3,5-disulfo-phenyl)benzene-1,3-disulfonic acid

Systemtic Name: 2-methyl-5-(4-methyl-3,5-disulfo-phenyl)benzene-1,3-disulfonic acid Openeye Name: 2-methyl-5-(4-methyl-3,5-disulfo-phenyl)benzene-1,3-disulfonic acid CAS Name: 2-methyl-5-(4-methyl-3,5-disulfophenyl)benzene-1,3-disulfonic acid IUPAC Name: 2-methyl-5-(4-methyl-3,5-disulfophenyl)benzene-1,3-disulfonic acid Traditional Name: 2-methyl-5-(4-methyl-3,5-disulfo-phenyl)benzene-1,3-disulfonic acid Formula: C14H14O12S4 MolecularWeight: 502.51376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O12S4/c1-7-11(27(15,16)17)3-9(4-12(7)28(18,19)20)10-5-13(29(21,22)23)8(2)14(6-10)30(24,25)26/h3-6H,1-2H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)