6-diazo-2,5-diethoxy-3-(4-methylphenyl)sulfanyl-cyclohexa-1,3-diene; 2-sulfobenzene-1,3-dicarboxylate

Systemtic Name: 6-diazo-2,5-diethoxy-3-(4-methylphenyl)sulfanyl-cyclohexa-1,3-diene; 2-sulfobenzene-1,3-dicarboxylate Openeye Name: 6-diazo-2,5-diethoxy-3-(p-tolylsulfanyl)cyclohexa-1,3-diene; 2-sulfobenzene-1,3-dicarboxylate CAS Name: 6-diazo-2,5-diethoxy-3-[(4-methylphenyl)thio]cyclohexa-1,3-diene; 2-sulfobenzene-1,3-dicarboxylate IUPAC Name: 6-diazo-2,5-diethoxy-3-(4-methylphenyl)sulfanylcyclohexa-1,3-diene; 2-sulfobenzene-1,3-dicarboxylate Traditional Name: 6-diazo-2,5-diethoxy-3-(p-tolylthio)cyclohexa-1,3-diene; 2-sulfoisophthalate Formula: C25H24N2O9S2-2 MolecularWeight: 560.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C=C(C(=CC1=[N+]=[N-])OCC)SC2=CC=C(C=C2)C.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCOC1C=C(C(=CC1=[N+]=[N-])OCC)SC2=CC=C(C=C2)C.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C17H20N2O2S.C8H6O7S/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15/h6-11,15H,4-5H2,1-3H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/p-2