2-[11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propanoate

Systemtic Name: 2-[11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propanoate Openeye Name: 2-(11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 2-(11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate IUPAC Name: 2-(11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(11,11-diketo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propionate Formula: C17H15O4S- MolecularWeight: 315.3636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3CC2)C(=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3CC2)C(=O)[O-]

InChI

InChI=1S/C17H16O4S/c1-11(17(18)19)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)22(16,20)21/h2-5,8-11H,6-7H2,1H3,(H,18,19)/p-1