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

Systemtic Name: [3-[5-[[3-(3-azaniumylidene-3-methoxy-propoxy)carbonyl-4-methyl-phenyl]disulfanyl]-2-nitro-phenyl]carbonyloxy-1-methoxy-propylidene]azanium Openeye Name: [3-[5-[[3-(3-azaniumylidene-3-methoxy-propoxy)carbonyl-4-methyl-phenyl]disulfanyl]-2-nitro-benzoyl]oxy-1-methoxy-propylidene]ammonium CAS Name: [3-[[5-[[3-[(3-iminio-3-methoxypropoxy)-oxomethyl]-4-methylphenyl]disulfanyl]-2-nitrophenyl]-oxomethoxy]-1-methoxypropylidene]ammonium IUPAC Name: [3-[5-[[3-(3-azaniumylidene-3-methoxypropoxy)carbonyl-4-methylphenyl]disulfanyl]-2-nitrobenzoyl]oxy-1-methoxypropylidene]azanium Traditional Name: [3-[5-[[3-(3-iminio-3-methoxy-propoxy)carbonyl-4-methyl-phenyl]disulfanyl]-2-nitro-benzoyl]oxy-1-methoxy-propylidene]ammonium Formula: C23H27N3O8S2+2 MolecularWeight: 537.60578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=[NH2+])OC)C(=O)OCCC(=[NH2+])OC

Isomeric SMILES

CC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=[NH2+])OC)C(=O)OCCC(=[NH2+])OC

InChI

InChI=1S/C23H25N3O8S2/c1-14-4-5-15(12-17(14)22(27)33-10-8-20(24)31-2)35-36-16-6-7-19(26(29)30)18(13-16)23(28)34-11-9-21(25)32-3/h4-7,12-13,24-25H,8-11H2,1-3H3/p+2