3-[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethyl]-4-methyl-benzenesulfonic acid Openeye Name: 3-[2-(2,2-dimethylchroman-6-yl)ethyl]-4-methyl-benzenesulfonic acid CAS Name: 3-[2-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethyl]-4-methylbenzenesulfonic acid Traditional Name: 3-[2-(2,2-dimethylchroman-6-yl)ethyl]-4-methyl-besylic acid Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CCC2=CC3=C(C=C2)OC(CC3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CCC2=CC3=C(C=C2)OC(CC3)(C)C

InChI

InChI=1S/C20H24O4S/c1-14-4-8-18(25(21,22)23)13-16(14)7-5-15-6-9-19-17(12-15)10-11-20(2,3)24-19/h4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,21,22,23)