2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]acetic acid IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]acetic acid Formula: C16H13ClO2S2 MolecularWeight: 336.85622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)