4-(7-butylsulfonyl-5-methyl-heptan-2-yl)benzenesulfonate

Systemtic Name: 4-(7-butylsulfonyl-5-methyl-heptan-2-yl)benzenesulfonate Openeye Name: 4-(6-butylsulfonyl-1,4-dimethyl-hexyl)benzenesulfonate CAS Name: 4-(7-butylsulfonyl-5-methylheptan-2-yl)benzenesulfonate IUPAC Name: 4-(7-butylsulfonyl-5-methylheptan-2-yl)benzenesulfonate Traditional Name: 4-(6-butylsulfonyl-1,4-dimethyl-hexyl)besylate Formula: C18H29O5S2- MolecularWeight: 389.54986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O5S2/c1-4-5-13-24(19,20)14-12-15(2)6-7-16(3)17-8-10-18(11-9-17)25(21,22)23/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,21,22,23)/p-1