3,3-dimethyl-6-[[6-[(4-nitrophenyl)methoxy]-6-oxidanylidene-hexanoyl]amino]-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[[6-[(4-nitrophenyl)methoxy]-6-oxidanylidene-hexanoyl]amino]-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid Openeye Name: 3,3-dimethyl-6-[[6-[(4-nitrophenyl)methoxy]-6-oxo-hexanoyl]amino]-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid CAS Name: 3,3-dimethyl-6-[[6-[(4-nitrophenyl)methoxy]-1,6-dioxohexyl]amino]-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[[6-[(4-nitrophenyl)methoxy]-6-oxohexanoyl]amino]-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid Traditional Name: 7-keto-6-[[6-keto-6-(4-nitrobenzyl)oxy-hexanoyl]amino]-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid Formula: C21H26N3O8S+ MolecularWeight: 480.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+]2(C(S1)C(C2=O)NC(=O)CCCCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C[N+]2(C(S1)C(C2=O)NC(=O)CCCCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C21H25N3O8S/c1-21(2)12-24(20(28)29)18(27)17(19(24)33-21)22-15(25)5-3-4-6-16(26)32-11-13-7-9-14(10-8-13)23(30)31/h7-10,17,19H,3-6,11-12H2,1-2H3,(H-,22,25,28,29)/p+1