4-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]butanoic acid Openeye Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]butanoic acid CAS Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]butanoic acid IUPAC Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]butanoic acid Traditional Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]butyric acid Formula: C18H17ClO2S2 MolecularWeight: 364.90938

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)SCCCC(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)SCCCC(=O)O

InChI

InChI=1S/C18H17ClO2S2/c19-13-7-8-15-12(10-13)11-17(22-9-3-6-18(20)21)14-4-1-2-5-16(14)23-15/h1-2,4-5,7-8,10,17H,3,6,9,11H2,(H,20,21)