lithium [(1S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfanyl-[1-(4-nitrophenyl)pentyl]azanide

Systemtic Name: lithium [(1S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfanyl-[1-(4-nitrophenyl)pentyl]azanide Openeye Name: lithium [(1S,4R)-3-methoxy-4,7,7-trimethyl-norbornan-2-yl]sulfanyl-[1-(4-nitrophenyl)pentyl]azanide CAS Name: lithium [[(1S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]thio]-[1-(4-nitrophenyl)pentyl]azanide IUPAC Name: lithium [(1S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfanyl-[1-(4-nitrophenyl)pentyl]azanide Traditional Name: lithium [[(1S,4R)-3-methoxy-4,7,7-trimethyl-norbornan-2-yl]thio]-[1-(4-nitrophenyl)pentyl]azanide Formula: C22H33LiN2O3S MolecularWeight: 412.51502

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC(C1=CC=C(C=C1)[N+](=O)[O-])[N-]SC2C3CCC(C2OC)(C3(C)C)C

Isomeric SMILES

[Li+].CCCCC(C1=CC=C(C=C1)[N+](=O)[O-])[N-]SC2[C@H]3CC[C@@](C2OC)(C3(C)C)C

InChI

InChI=1S/C22H33N2O3S.Li/c1-6-7-8-18(15-9-11-16(12-10-15)24(25)26)23-28-19-17-13-14-22(4,20(19)27-5)21(17,2)3;/h9-12,17-20H,6-8,13-14H2,1-5H3;/q-1;+1/t17-,18?,19?,20?,22+;/m1./s1