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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propyl dodecanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl dodecanoate CAS Name: dodecanoic 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 dodecanoate Traditional Name: lauric acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propyl ester Formula: C29H38O3S MolecularWeight: 466.67522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38O3S/c1-3-4-5-6-7-8-9-10-11-16-28(30)32-20-22(2)23-17-18-26-27(19-23)33-21-24-14-12-13-15-25(24)29(26)31/h12-15,17-19,22H,3-11,16,20-21H2,1-2H3