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

Systemtic Name: nonyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O3S/c1-2-3-4-5-6-7-10-15-28-24(26)17-19-13-14-22-23(16-19)29-18-20-11-8-9-12-21(20)25(22)27/h8-9,11-14,16H,2-7,10,15,17-18H2,1H3