4-(2,5,5-trimethylnonan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(2,5,5-trimethylnonan-2-yl)benzenesulfonic acid Openeye Name: 4-(1,1,4,4-tetramethyloctyl)benzenesulfonic acid CAS Name: 4-(2,5,5-trimethylnonan-2-yl)benzenesulfonic acid IUPAC Name: 4-(2,5,5-trimethylnonan-2-yl)benzenesulfonic acid Traditional Name: 4-(1,1,4,4-tetramethyloctyl)besylic acid Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(C)(C)CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H30O3S/c1-6-7-12-17(2,3)13-14-18(4,5)15-8-10-16(11-9-15)22(19,20)21/h8-11H,6-7,12-14H2,1-5H3,(H,19,20,21)