1-spiro[1,3-dihydroindole-2,2'-chromene]-8'-ylnonadecyl 3,3-dimethyl-6-nitro-docosanoate

Systemtic Name: 1-spiro[1,3-dihydroindole-2,2'-chromene]-8'-ylnonadecyl 3,3-dimethyl-6-nitro-docosanoate Openeye Name: 1-spiro[chromene-2,2'-indoline]-8-ylnonadecyl 3,3-dimethyl-6-nitro-docosanoate CAS Name: 3,3-dimethyl-6-nitrodocosanoic acid 1-(8'-spiro[1,3-dihydroindole-2,2'-1-benzopyran]yl)nonadecyl ester IUPAC Name: 1-spiro[1,3-dihydroindole-2,2'-chromene]-8'-ylnonadecyl 3,3-dimethyl-6-nitrodocosanoate Traditional Name: 3,3-dimethyl-6-nitro-behenic acid 1-spiro[chromene-2,2'-indoline]-8-ylnonadecyl ester Formula: C59H96N2O5 MolecularWeight: 913.40394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C1=CC=CC2=C1OC3(CC4=CC=CC=C4N3)C=C2)OC(=O)CC(C)(C)CCC(CCCCCCCCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C1=CC=CC2=C1OC3(CC4=CC=CC=C4N3)C=C2)OC(=O)CC(C)(C)CCC(CCCCCCCCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C59H96N2O5/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-43-55(53-41-37-39-50-44-47-59(66-57(50)53)48-51-38-35-36-42-54(51)60-59)65-56(62)49-58(3,4)46-45-52(61(63)64)40-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h35-39,41-42,44,47,52,55,60H,5-34,40,43,45-46,48-49H2,1-4H3