4-(7-butylsulfonyl-5-methyl-heptan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(7-butylsulfonyl-5-methyl-heptan-2-yl)benzenesulfonic acid Openeye Name: 4-(6-butylsulfonyl-1,4-dimethyl-hexyl)benzenesulfonic acid CAS Name: 4-(7-butylsulfonyl-5-methylheptan-2-yl)benzenesulfonic acid IUPAC Name: 4-(7-butylsulfonyl-5-methylheptan-2-yl)benzenesulfonic acid Traditional Name: 4-(6-butylsulfonyl-1,4-dimethyl-hexyl)besylic acid Formula: C18H30O5S2 MolecularWeight: 390.5578

Click to see the large picture

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)