2-[2,2-dimethyl-1-(5-methyl-2-sulfo-phenyl)cyclopent-3-en-1-yl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[2,2-dimethyl-1-(5-methyl-2-sulfo-phenyl)cyclopent-3-en-1-yl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[2,2-dimethyl-1-(5-methyl-2-sulfo-phenyl)cyclopent-3-en-1-yl]-4-methyl-benzenesulfonic acid CAS Name: 2-[2,2-dimethyl-1-(5-methyl-2-sulfophenyl)-1-cyclopent-3-enyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[2,2-dimethyl-1-(5-methyl-2-sulfophenyl)cyclopent-3-en-1-yl]-4-methylbenzenesulfonic acid Traditional Name: 2-[2,2-dimethyl-1-(5-methyl-2-sulfo-phenyl)cyclopent-3-en-1-yl]-4-methyl-besylic acid Formula: C21H24O6S2 MolecularWeight: 436.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C2(CC=CC2(C)C)C3=C(C=CC(=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C2(CC=CC2(C)C)C3=C(C=CC(=C3)C)S(=O)(=O)O

InChI

InChI=1S/C21H24O6S2/c1-14-6-8-18(28(22,23)24)16(12-14)21(11-5-10-20(21,3)4)17-13-15(2)7-9-19(17)29(25,26)27/h5-10,12-13H,11H2,1-4H3,(H,22,23,24)(H,25,26,27)