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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl nonanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl nonanoate CAS Name: nonanoic acid 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl nonanoate Traditional Name: pelargonic acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCCCCCCC(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

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