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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propyl nonanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl nonanoate CAS Name: nonanoic acid 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl ester IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl nonanoate Traditional Name: pelargonic acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propyl ester Formula: C26H32O3S MolecularWeight: 424.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O3S/c1-3-4-5-6-7-8-13-25(27)29-17-19(2)20-14-15-23-24(16-20)30-18-21-11-9-10-12-22(21)26(23)28/h9-12,14-16,19H,3-8,13,17-18H2,1-2H3