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

Systemtic Name: dodecyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C28H36O3S MolecularWeight: 452.64864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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