4-[6-(3-methylcyclopentyl)hexan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[6-(3-methylcyclopentyl)hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[1-methyl-5-(3-methylcyclopentyl)pentyl]benzenesulfonic acid CAS Name: 4-[6-(3-methylcyclopentyl)hexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[6-(3-methylcyclopentyl)hexan-2-yl]benzenesulfonic acid Traditional Name: 4-[1-methyl-5-(3-methylcyclopentyl)pentyl]besylic acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1)CCCCC(C)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1CCC(C1)CCCCC(C)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H28O3S/c1-14-7-8-16(13-14)6-4-3-5-15(2)17-9-11-18(12-10-17)22(19,20)21/h9-12,14-16H,3-8,13H2,1-2H3,(H,19,20,21)