(3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: (3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]thio]-2-methylpropanoic acid (3-bromo-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(3,5-dinitrobenzoyl)thio]-2-methyl-propionic acid (3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C22H20BrN3O10S MolecularWeight: 598.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)Br

InChI

InChI=1S/C22H20BrN3O10S/c1-11(10-37-21(28)12-6-14(25(31)32)8-15(7-12)26(33)34)20(27)35-18-16-9-13(24(29)30)4-5-17(16)36-22(2,3)19(18)23/h4-9,11,18-19H,10H2,1-3H3