3-ethyl-1-phenyl-heptane-1-sulfonic acid

Systemtic Name: 3-ethyl-1-phenyl-heptane-1-sulfonic acid Openeye Name: 3-ethyl-1-phenyl-heptane-1-sulfonic acid CAS Name: 3-ethyl-1-phenyl-1-heptanesulfonic acid IUPAC Name: 3-ethyl-1-phenylheptane-1-sulfonic acid Traditional Name: 3-ethyl-1-phenyl-heptane-1-sulfonic acid Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(C1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C15H24O3S/c1-3-5-9-13(4-2)12-15(19(16,17)18)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3,(H,16,17,18)