2-[6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyhexylsulfanyl]benzoic acid

Systemtic Name: 2-[6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyhexylsulfanyl]benzoic acid Openeye Name: 2-[6-(6-thioxocyclohexa-1,3-dien-1-yl)oxyhexylsulfanyl]benzoic acid CAS Name: 2-[6-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]hexylthio]benzoic acid IUPAC Name: 2-[6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyhexylsulfanyl]benzoic acid Traditional Name: 2-[6-(6-thioxocyclohexa-1,3-dien-1-yl)oxyhexylthio]benzoic acid Formula: C19H22O3S2 MolecularWeight: 362.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)OCCCCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1C=CC=C(C1=S)OCCCCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H22O3S2/c20-19(21)15-9-3-6-12-18(15)24-14-8-2-1-7-13-22-16-10-4-5-11-17(16)23/h3-6,9-10,12H,1-2,7-8,11,13-14H2,(H,20,21)