2-(4-azido-10-bromanyl-2-nitro-decyl)isoindole-1,3-dione; 2-(9-bromanyl-5-sulfanyl-nonyl)isoindole-1,3-dione

Systemtic Name: 2-(4-azido-10-bromanyl-2-nitro-decyl)isoindole-1,3-dione; 2-(9-bromanyl-5-sulfanyl-nonyl)isoindole-1,3-dione Openeye Name: 2-(4-azido-10-bromo-2-nitro-decyl)isoindoline-1,3-dione; 2-(9-bromo-5-sulfanyl-nonyl)isoindoline-1,3-dione CAS Name: 2-(4-azido-10-bromo-2-nitrodecyl)isoindole-1,3-dione; 2-(9-bromo-5-mercaptononyl)isoindole-1,3-dione IUPAC Name: 2-(4-azido-10-bromo-2-nitrodecyl)isoindole-1,3-dione; 2-(9-bromo-5-sulfanylnonyl)isoindole-1,3-dione Traditional Name: 2-(4-azido-10-bromo-2-nitro-decyl)isoindoline-1,3-quinone; 2-(9-bromo-5-mercapto-nonyl)isoindoline-1,3-quinone Formula: C35H44Br2N6O6S MolecularWeight: 836.63346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CCCCBr)S.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CC(CCCCCCBr)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CCCCBr)S.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CC(CCCCCCBr)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C18H22BrN5O4.C17H22BrNO2S/c19-10-6-2-1-3-7-13(21-22-20)11-14(24(27)28)12-23-17(25)15-8-4-5-9-16(15)18(23)26;18-11-5-3-7-13(22)8-4-6-12-19-16(20)14-9-1-2-10-15(14)17(19)21/h4-5,8-9,13-14H,1-3,6-7,10-12H2;1-2,9-10,13,22H,3-8,11-12H2