2-dodecylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol

Systemtic Name: 2-dodecylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Openeye Name: 2-dodecylbenzenesulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol CAS Name: 2-dodecylbenzenesulfonate; 4-(1-thiolan-1-iumyl)phenol IUPAC Name: 2-dodecylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Traditional Name: 2-laurylbesylate; 4-tetrahydrothiophen-1-ium-1-ylphenol Formula: C28H42O4S2 MolecularWeight: 506.76068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1CC[S+](C1)C2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1CC[S+](C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H30O3S.C10H12OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;11-9-3-5-10(6-4-9)12-7-1-2-8-12/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3-6H,1-2,7-8H2