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

Systemtic Name: 5-methyl-2-[2-(4-methyl-2-sulfo-phenyl)ethyl]benzenesulfonic acid Openeye Name: 5-methyl-2-[2-(4-methyl-2-sulfo-phenyl)ethyl]benzenesulfonic acid CAS Name: 5-methyl-2-[2-(4-methyl-2-sulfophenyl)ethyl]benzenesulfonic acid IUPAC Name: 5-methyl-2-[2-(4-methyl-2-sulfophenyl)ethyl]benzenesulfonic acid Traditional Name: 5-methyl-2-[2-(4-methyl-2-sulfo-phenyl)ethyl]besylic acid Formula: C16H18O6S2 MolecularWeight: 370.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC2=C(C=C(C=C2)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)CCC2=C(C=C(C=C2)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H18O6S2/c1-11-3-5-13(15(9-11)23(17,18)19)7-8-14-6-4-12(2)10-16(14)24(20,21)22/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)(H,20,21,22)