potassium 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)propanoate

Systemtic Name: potassium 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)propanoate Openeye Name: potassium 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate CAS Name: potassium 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate IUPAC Name: potassium 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate Traditional Name: potassium 2-(5-keto-8-methyl-6H-benzo[b][1]benzoxepin-3-yl)propionate Formula: C18H15KO4 MolecularWeight: 334.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(C)C(=O)[O-])C(=O)C2.[K+]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(C)C(=O)[O-])C(=O)C2.[K+]

InChI

InChI=1S/C18H16O4.K/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16;/h3-8,11H,9H2,1-2H3,(H,20,21);/q;+1/p-1