2-(11-oxidanylidene-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)ethanoic acid

Systemtic Name: 2-(11-oxidanylidene-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)ethanoic acid Openeye Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)acetic acid CAS Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)acetic acid IUPAC Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)acetic acid Traditional Name: 2-(11-keto-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-3-yl)acetic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=CC=C1CC(=O)O)C(=O)C3C=CC=CC3=CS2

Isomeric SMILES

C1C2C(=CC=C1CC(=O)O)C(=O)C3C=CC=CC3=CS2

InChI

InChI=1S/C16H14O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-6,9,12,14H,7-8H2,(H,17,18)