4-butyl-1-phenoxy-octane-1-sulfonic acid

Systemtic Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid Openeye Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid CAS Name: 4-butyl-1-phenoxy-1-octanesulfonic acid IUPAC Name: 4-butyl-1-phenoxyoctane-1-sulfonic acid Traditional Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(CCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C18H30O4S/c1-3-5-10-16(11-6-4-2)14-15-18(23(19,20)21)22-17-12-8-7-9-13-17/h7-9,12-13,16,18H,3-6,10-11,14-15H2,1-2H3,(H,19,20,21)