(4-tert-butylphenyl) octane-1-sulfonate

Systemtic Name: (4-tert-butylphenyl) octane-1-sulfonate Openeye Name: (4-tert-butylphenyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (4-tert-butylphenyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (4-tert-butylphenyl) ester Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C18H30O3S/c1-5-6-7-8-9-10-15-22(19,20)21-17-13-11-16(12-14-17)18(2,3)4/h11-14H,5-10,15H2,1-4H3