[3-[5-[[3-(3-azaniumylidene-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-phenyl]carbonyloxy-1-methoxy-propylidene]azanium

Systemtic Name: [3-[5-[[3-(3-azaniumylidene-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-phenyl]carbonyloxy-1-methoxy-propylidene]azanium Openeye Name: [3-[5-[[3-(3-azaniumylidene-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoyl]oxy-1-methoxy-propylidene]ammonium CAS Name: [3-[[5-[[3-[(3-iminio-3-methoxypropoxy)-oxomethyl]-4-nitrophenyl]disulfanyl]-2-nitrophenyl]-oxomethoxy]-1-methoxypropylidene]ammonium IUPAC Name: [3-[5-[[3-(3-azaniumylidene-3-methoxypropoxy)carbonyl-4-nitrophenyl]disulfanyl]-2-nitrobenzoyl]oxy-1-methoxypropylidene]azanium Traditional Name: [3-[5-[[3-(3-iminio-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoyl]oxy-1-methoxy-propylidene]ammonium Formula: C22H24N4O10S2+2 MolecularWeight: 568.57676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=[NH2+])CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=[NH2+])OC)[N+](=O)[O-]

Isomeric SMILES

COC(=[NH2+])CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=[NH2+])OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O10S2/c1-33-19(23)7-9-35-21(27)15-11-13(3-5-17(15)25(29)30)37-38-14-4-6-18(26(31)32)16(12-14)22(28)36-10-8-20(24)34-2/h3-6,11-12,23-24H,7-10H2,1-2H3/p+2