4-(8-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(8-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxo-butanoic acid CAS Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoic acid IUPAC Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(11-keto-8-methoxy-6H-benzo[c][1]benzothiepin-3-yl)butyric acid Formula: C19H16O5S MolecularWeight: 356.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)O)SC2

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)O)SC2

InChI

InChI=1S/C19H16O5S/c1-24-13-3-5-14-12(8-13)10-25-17-9-11(2-4-15(17)19(14)23)16(20)6-7-18(21)22/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)