2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-(2-nitrophenyl)sulfanyl-azanium

Systemtic Name: 2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-(2-nitrophenyl)sulfanyl-azanium Openeye Name: 2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-(2-nitrophenyl)sulfanyl-ammonium CAS Name: 2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-[(2-nitrophenyl)thio]ammonium IUPAC Name: 2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-(2-nitrophenyl)sulfanylazanium Traditional Name: 2-carboxyoxyethyl-(1,4-dioxaspiro[4.5]decan-3-yl)-methyl-[(2-nitrophenyl)thio]ammonium Formula: C18H25N2O7S+ MolecularWeight: 413.4653

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCOC(=O)O)(C1COC2(O1)CCCCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[N+](CCOC(=O)O)(C1COC2(O1)CCCCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7S/c1-20(11-12-25-17(21)22,28-15-8-4-3-7-14(15)19(23)24)16-13-26-18(27-16)9-5-2-6-10-18/h3-4,7-8,16H,2,5-6,9-13H2,1H3/p+1