4-ethoxy-3-(3-heptan-4-yloxiran-2-yl)benzenesulfonic acid

Systemtic Name: 4-ethoxy-3-(3-heptan-4-yloxiran-2-yl)benzenesulfonic acid Openeye Name: 4-ethoxy-3-[3-(1-propylbutyl)oxiran-2-yl]benzenesulfonic acid CAS Name: 4-ethoxy-3-(3-heptan-4-yl-2-oxiranyl)benzenesulfonic acid IUPAC Name: 4-ethoxy-3-(3-heptan-4-yloxiran-2-yl)benzenesulfonic acid Traditional Name: 4-ethoxy-3-[3-(1-propylbutyl)oxiran-2-yl]besylic acid Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1C(O1)C2=C(C=CC(=C2)S(=O)(=O)O)OCC

Isomeric SMILES

CCCC(CCC)C1C(O1)C2=C(C=CC(=C2)S(=O)(=O)O)OCC

InChI

InChI=1S/C17H26O5S/c1-4-7-12(8-5-2)16-17(22-16)14-11-13(23(18,19)20)9-10-15(14)21-6-3/h9-12,16-17H,4-8H2,1-3H3,(H,18,19,20)