2-(3-chloranyl-6-oxidanyl-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)ethanoic acid

Systemtic Name: 2-(3-chloranyl-6-oxidanyl-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)ethanoic acid Openeye Name: 2-(3-chloro-6-hydroxy-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)acetic acid CAS Name: 2-(3-chloro-6-hydroxy-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)acetic acid IUPAC Name: 2-(3-chloro-6-hydroxy-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)acetic acid Traditional Name: 2-(3-chloro-6-hydroxy-5,6-dihydrobenzo[b][1]benzoxepin-8-yl)acetic acid Formula: C16H13ClO4 MolecularWeight: 304.72502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)CC(=O)O)OC3=C1C=C(C=C3)Cl)O

Isomeric SMILES

C1C(C2=C(C=CC(=C2)CC(=O)O)OC3=C1C=C(C=C3)Cl)O

InChI

InChI=1S/C16H13ClO4/c17-11-2-4-14-10(7-11)8-13(18)12-5-9(6-16(19)20)1-3-15(12)21-14/h1-5,7,13,18H,6,8H2,(H,19,20)