(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H21NO9S MolecularWeight: 499.48984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C24H21NO9S/c1-15-7-8-16(2)22(9-15)35(29,30)34-21-6-4-3-5-20(21)24(26)32-13-18-11-19(25(27)28)10-17-12-31-14-33-23(17)18/h3-11H,12-14H2,1-2H3