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

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

Systemtic Name:2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl dodecanoate
Openeye Name:2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl dodecanoate
CAS Name:dodecanoic 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 dodecanoate
Traditional Name:lauric acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester
Formula: C28H36O3S
MolecularWeight: 452.64864
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H36O3S/c1-2-3-4-5-6-7-8-9-10-15-27(29)31-19-18-22-16-17-25-26(20-22)32-21-23-13-11-12-14-24(23)28(25)30/h11-14,16-17,20H,2-10,15,18-19,21H2,1H3


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