(6-phenoxycarbothioyloxy-4,8-dioxabicyclo[3.2.1]octan-7-yl)methyl benzoate

Systemtic Name: (6-phenoxycarbothioyloxy-4,8-dioxabicyclo[3.2.1]octan-7-yl)methyl benzoate Openeye Name: (6-phenoxycarbothioyloxy-4,8-dioxabicyclo[3.2.1]octan-7-yl)methyl benzoate CAS Name: benzoic acid [6-[phenoxy(sulfanylidene)methoxy]-4,8-dioxabicyclo[3.2.1]octan-7-yl]methyl ester IUPAC Name: (6-phenoxycarbothioyloxy-4,8-dioxabicyclo[3.2.1]octan-7-yl)methyl benzoate Traditional Name: benzoic acid (6-phenoxycarbothioyloxy-4,8-dioxabicyclo[3.2.1]octan-7-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2C(C(C1O2)COC(=O)C3=CC=CC=C3)OC(=S)OC4=CC=CC=C4

Isomeric SMILES

C1COC2C(C(C1O2)COC(=O)C3=CC=CC=C3)OC(=S)OC4=CC=CC=C4

InChI

InChI=1S/C21H20O6S/c22-19(14-7-3-1-4-8-14)24-13-16-17-11-12-23-20(26-17)18(16)27-21(28)25-15-9-5-2-6-10-15/h1-10,16-18,20H,11-13H2