2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl 2,2-diphenylethanoate

Systemtic Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl 2,2-diphenylethanoate Openeye Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ester IUPAC Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ester Formula: C30H27O2S+ MolecularWeight: 451.59918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=CC=CC=C3C[S+]1CCOC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C3=CC=CC=C3C[S+]1CCOC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27O2S/c31-30(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)32-19-20-33-21-25-15-7-9-17-27(25)28-18-10-8-16-26(28)22-33/h1-18,29H,19-22H2/q+1