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

Systemtic Name: (2-hexyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: (2-hexyl-1,3-dioxolan-4-yl)methyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoic 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)propanoate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propionic acid (2-hexyl-1,3-dioxolan-4-yl)methyl ester Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O5S/c1-3-4-5-6-11-25-30-15-21(32-25)16-31-27(29)18(2)19-12-13-23-24(14-19)33-17-20-9-7-8-10-22(20)26(23)28/h7-10,12-14,18,21,25H,3-6,11,15-17H2,1-2H3