5-(2-butylphenyl)heptadecane-5-sulfonic acid

Systemtic Name: 5-(2-butylphenyl)heptadecane-5-sulfonic acid Openeye Name: 5-(2-butylphenyl)heptadecane-5-sulfonic acid CAS Name: 5-(2-butylphenyl)-5-heptadecanesulfonic acid IUPAC Name: 5-(2-butylphenyl)heptadecane-5-sulfonic acid Traditional Name: 5-(2-butylphenyl)heptadecane-5-sulfonic acid Formula: C27H48O3S MolecularWeight: 452.73322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC)(C1=CC=CC=C1CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCC)(C1=CC=CC=C1CCCC)S(=O)(=O)O

InChI

InChI=1S/C27H48O3S/c1-4-7-10-11-12-13-14-15-16-19-24-27(23-9-6-3,31(28,29)30)26-22-18-17-21-25(26)20-8-5-2/h17-18,21-22H,4-16,19-20,23-24H2,1-3H3,(H,28,29,30)