8-methoxy-2-phenethylsulfonyl-octanoic acid

Systemtic Name: 8-methoxy-2-phenethylsulfonyl-octanoic acid Openeye Name: 8-methoxy-2-phenethylsulfonyl-octanoic acid CAS Name: 8-methoxy-2-phenethylsulfonyloctanoic acid IUPAC Name: 8-methoxy-2-phenethylsulfonyloctanoic acid Traditional Name: 8-methoxy-2-phenethylsulfonyl-caprylic acid Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1

Isomeric SMILES

COCCCCCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C17H26O5S/c1-22-13-8-3-2-7-11-16(17(18)19)23(20,21)14-12-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,18,19)