1-phenyldodecylsulfanyl hydrogen sulfate

Systemtic Name: 1-phenyldodecylsulfanyl hydrogen sulfate Openeye Name: 1-phenyldodecylsulfanyl hydrogen sulfate CAS Name: 1-phenyl-1-dodecanesulfenic acid IUPAC Name: 1-phenyldodecylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (1-phenyldodecylthio) ester Formula: C18H30O4S2 MolecularWeight: 374.5584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1)SOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1)SOS(=O)(=O)O

InChI

InChI=1S/C18H30O4S2/c1-2-3-4-5-6-7-8-9-13-16-18(23-22-24(19,20)21)17-14-11-10-12-15-17/h10-12,14-15,18H,2-9,13,16H2,1H3,(H,19,20,21)