2,3-bis(oxidanyl)propyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propionic acid glyceryl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC(CO)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC(CO)O

InChI

InChI=1S/C20H20O5S/c1-12(20(24)25-10-15(22)9-21)13-6-7-17-18(8-13)26-11-14-4-2-3-5-16(14)19(17)23/h2-8,12,15,21-22H,9-11H2,1H3