(2-hexyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

Systemtic Name: (2-hexyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: (2-hexyl-1,3-dioxolan-4-yl)methyl 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 (2-hexyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-hexyl-1,3-dioxolan-4-yl)methyl 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 (2-hexyl-1,3-dioxolan-4-yl)methyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(O1)COC(=O)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4CS3

Isomeric SMILES

CCCCCCC1OCC(O1)COC(=O)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4CS3

InChI

InChI=1S/C26H30O5S/c1-2-3-4-5-10-25-30-16-20(31-25)15-29-24(27)14-18-11-12-22-23(13-18)32-17-19-8-6-7-9-21(19)26(22)28/h6-9,11-13,20,25H,2-5,10,14-17H2,1H3