4-methyl-2-[4-(5-methyl-2-sulfo-phenyl)butyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[4-(5-methyl-2-sulfo-phenyl)butyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[4-(5-methyl-2-sulfo-phenyl)butyl]benzenesulfonic acid CAS Name: 4-methyl-2-[4-(5-methyl-2-sulfophenyl)butyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[4-(5-methyl-2-sulfophenyl)butyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[4-(5-methyl-2-sulfo-phenyl)butyl]besylic acid Formula: C18H22O6S2 MolecularWeight: 398.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

InChI

InChI=1S/C18H22O6S2/c1-13-7-9-17(25(19,20)21)15(11-13)5-3-4-6-16-12-14(2)8-10-18(16)26(22,23)24/h7-12H,3-6H2,1-2H3,(H,19,20,21)(H,22,23,24)