octyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

Systemtic Name: octyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCCCCCCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C24H28O3S/c1-2-3-4-5-6-9-14-27-23(25)16-18-12-13-21-22(15-18)28-17-19-10-7-8-11-20(19)24(21)26/h7-8,10-13,15H,2-6,9,14,16-17H2,1H3