sodium 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate

Systemtic Name: sodium 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate Openeye Name: sodium 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate CAS Name: sodium 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate IUPAC Name: sodium 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate Traditional Name: sodium 4-keto-4-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)butyrate Formula: C18H13NaO4S MolecularWeight: 348.34819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C18H14O4S.Na/c19-15(7-8-17(20)21)11-5-6-14-16(9-11)23-10-12-3-1-2-4-13(12)18(14)22;/h1-6,9H,7-8,10H2,(H,20,21);/q;+1/p-1