4-(5-methyl-5-phenyl-hexan-3-yl)benzenesulfonate

Systemtic Name: 4-(5-methyl-5-phenyl-hexan-3-yl)benzenesulfonate Openeye Name: 4-(1-ethyl-3-methyl-3-phenyl-butyl)benzenesulfonate CAS Name: 4-(5-methyl-5-phenylhexan-3-yl)benzenesulfonate IUPAC Name: 4-(5-methyl-5-phenylhexan-3-yl)benzenesulfonate Traditional Name: 4-(1-ethyl-3-methyl-3-phenyl-butyl)besylate Formula: C19H23O3S- MolecularWeight: 331.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCC(CC(C)(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C19H24O3S/c1-4-15(14-19(2,3)17-8-6-5-7-9-17)16-10-12-18(13-11-16)23(20,21)22/h5-13,15H,4,14H2,1-3H3,(H,20,21,22)/p-1