1-[2-(2-butyloctyl)phenyl]tridecane-1-sulfonic acid

Systemtic Name: 1-[2-(2-butyloctyl)phenyl]tridecane-1-sulfonic acid Openeye Name: 1-[2-(2-butyloctyl)phenyl]tridecane-1-sulfonic acid CAS Name: 1-[2-(2-butyloctyl)phenyl]-1-tridecanesulfonic acid IUPAC Name: 1-[2-(2-butyloctyl)phenyl]tridecane-1-sulfonic acid Traditional Name: 1-[2-(2-butyloctyl)phenyl]tridecane-1-sulfonic acid Formula: C31H56O3S MolecularWeight: 508.83954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1CC(CCCC)CCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1CC(CCCC)CCCCCC)S(=O)(=O)O

InChI

InChI=1S/C31H56O3S/c1-4-7-10-12-13-14-15-16-17-19-26-31(35(32,33)34)30-25-21-20-24-29(30)27-28(22-9-6-3)23-18-11-8-5-2/h20-21,24-25,28,31H,4-19,22-23,26-27H2,1-3H3,(H,32,33,34)