12-phenoxy-2-sulfanylidene-dodecanoic acid

Systemtic Name: 12-phenoxy-2-sulfanylidene-dodecanoic acid Openeye Name: 12-phenoxy-2-thioxo-dodecanoic acid CAS Name: 12-phenoxy-2-sulfanylidenedodecanoic acid IUPAC Name: 12-phenoxy-2-sulfanylidenedodecanoic acid Traditional Name: 12-phenoxy-2-thioxo-lauric acid Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCCC(=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCCCC(=S)C(=O)O

InChI

InChI=1S/C18H26O3S/c19-18(20)17(22)14-10-5-3-1-2-4-6-11-15-21-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,19,20)