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

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetic acid glyceryl ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)OCC(CO)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)OCC(CO)O

InChI

InChI=1S/C19H18O5S/c20-9-14(21)10-24-18(22)8-12-5-6-16-17(7-12)25-11-13-3-1-2-4-15(13)19(16)23/h1-7,14,20-21H,8-11H2