(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H18ClNO6S MolecularWeight: 471.91012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClNO6S/c24-19-5-7-21(8-6-19)32-13-15-1-3-16(4-2-15)23(26)30-12-18-10-20(25(27)28)9-17-11-29-14-31-22(17)18/h1-10H,11-14H2