4-[(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,3-disulfonic acid Openeye Name: 4-(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)azobenzene-1,3-disulfonic acid CAS Name: 4-[(5-methoxy-2-methyl-1-cyclohexa-1,5-dienyl)azo]benzene-1,3-disulfonic acid IUPAC Name: 4-[(5-methoxy-2-methylcyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,3-disulfonic acid Traditional Name: 4-(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)azobenzene-1,3-disulfonic acid Formula: C14H16N2O7S2 MolecularWeight: 388.41604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(CC1)OC)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(CC1)OC)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O7S2/c1-9-3-4-10(23-2)7-13(9)16-15-12-6-5-11(24(17,18)19)8-14(12)25(20,21)22/h5-8H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22)