octyl 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate

Systemtic Name: octyl 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate Openeye Name: octyl 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate CAS Name: 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoic acid octyl ester IUPAC Name: octyl 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate Traditional Name: 4-keto-4-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)butyric acid octyl ester Formula: C26H30O4S MolecularWeight: 438.579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCCCCCCOC(=O)CCC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C26H30O4S/c1-2-3-4-5-6-9-16-30-25(28)15-14-23(27)19-12-13-22-24(17-19)31-18-20-10-7-8-11-21(20)26(22)29/h7-8,10-13,17H,2-6,9,14-16,18H2,1H3