(phenylmethyl) 4-octoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylate

Systemtic Name: (phenylmethyl) 4-octoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylate Openeye Name: benzyl 4-octoxy-1,1-dioxo-benzothiophene-5-carboxylate CAS Name: 4-octoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-octoxy-1,1-dioxo-1-benzothiophene-5-carboxylate Traditional Name: 1,1-diketo-4-octoxy-benzothiophene-5-carboxylic acid benzyl ester Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28O5S/c1-2-3-4-5-6-10-16-28-23-20-15-17-30(26,27)22(20)14-13-21(23)24(25)29-18-19-11-8-7-9-12-19/h7-9,11-15,17H,2-6,10,16,18H2,1H3