4-methylbenzenesulfonic acid; 4-methyl-2-(4-oxidanylcyclohexyl)benzenesulfonic acid; 4-propan-2-ylcyclohexan-1-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methyl-2-(4-oxidanylcyclohexyl)benzenesulfonic acid; 4-propan-2-ylcyclohexan-1-ol Openeye Name: 2-(4-hydroxycyclohexyl)-4-methyl-benzenesulfonic acid; 4-isopropylcyclohexanol; 4-methylbenzenesulfonic acid CAS Name: 2-(4-hydroxycyclohexyl)-4-methylbenzenesulfonic acid; 4-methylbenzenesulfonic acid; 4-propan-2-yl-1-cyclohexanol IUPAC Name: 2-(4-hydroxycyclohexyl)-4-methylbenzenesulfonic acid; 4-methylbenzenesulfonic acid; 4-propan-2-ylcyclohexan-1-ol Traditional Name: 2-(4-hydroxycyclohexyl)-4-methyl-besylic acid; 4-isopropylcyclohexanol; tosylic acid Formula: C29H44O8S2 MolecularWeight: 584.78486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1)S(=O)(=O)O)C2CCC(CC2)O.CC(C)C1CCC(CC1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1)S(=O)(=O)O)C2CCC(CC2)O.CC(C)C1CCC(CC1)O

InChI

InChI=1S/C13H18O4S.C9H18O.C7H8O3S/c1-9-2-7-13(18(15,16)17)12(8-9)10-3-5-11(14)6-4-10;1-7(2)8-3-5-9(10)6-4-8;1-6-2-4-7(5-3-6)11(8,9)10/h2,7-8,10-11,14H,3-6H2,1H3,(H,15,16,17);7-10H,3-6H2,1-2H3;2-5H,1H3,(H,8,9,10)