4-[2-(2,4-dimethylpentyl)-1,2-dimethyl-cyclopropyl]benzenesulfonic acid

Systemtic Name: 4-[2-(2,4-dimethylpentyl)-1,2-dimethyl-cyclopropyl]benzenesulfonic acid Openeye Name: 4-[2-(2,4-dimethylpentyl)-1,2-dimethyl-cyclopropyl]benzenesulfonic acid CAS Name: 4-[2-(2,4-dimethylpentyl)-1,2-dimethylcyclopropyl]benzenesulfonic acid IUPAC Name: 4-[2-(2,4-dimethylpentyl)-1,2-dimethylcyclopropyl]benzenesulfonic acid Traditional Name: 4-[2-(2,4-dimethylpentyl)-1,2-dimethyl-cyclopropyl]besylic acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3S/c1-13(2)10-14(3)11-17(4)12-18(17,5)15-6-8-16(9-7-15)22(19,20)21/h6-9,13-14H,10-12H2,1-5H3,(H,19,20,21)