4-methyl-2-[12-(5-methyl-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[12-(5-methyl-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[12-(5-methyl-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid CAS Name: 4-methyl-2-[12-(5-methyl-2-sulfophenyl)dodeca-5,7-diynyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[12-(5-methyl-2-sulfophenyl)dodeca-5,7-diynyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[12-(5-methyl-2-sulfo-phenyl)dodeca-5,7-diynyl]besylic acid Formula: C26H30O6S2 MolecularWeight: 502.6428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCC#CC#CCCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCC#CC#CCCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

InChI

InChI=1S/C26H30O6S2/c1-21-15-17-25(33(27,28)29)23(19-21)13-11-9-7-5-3-4-6-8-10-12-14-24-20-22(2)16-18-26(24)34(30,31)32/h15-20H,7-14H2,1-2H3,(H,27,28,29)(H,30,31,32)