(3',3'-dimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indole]-8-yl) docosanoate

Systemtic Name: (3',3'-dimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indole]-8-yl) docosanoate Openeye Name: (3',3'-dimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indoline]-8-yl) docosanoate CAS Name: docosanoic acid (3',3'-dimethyl-6-nitro-1'-octadecyl-8-spiro[1-benzopyran-2,2'-indole]yl) ester IUPAC Name: (3',3'-dimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole]-8-yl) docosanoate Traditional Name: behenic acid (3',3'-dimethyl-6-nitro-1'-stearyl-spiro[chromene-2,2'-indoline]-8-yl) ester Formula: C58H94N2O5 MolecularWeight: 899.37736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C2C(=CC(=C1)[N+](=O)[O-])C=CC3(O2)C(C4=CC=CC=C4N3CCCCCCCCCCCCCCCCCC)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C2C(=CC(=C1)[N+](=O)[O-])C=CC3(O2)C(C4=CC=CC=C4N3CCCCCCCCCCCCCCCCCC)(C)C

InChI

InChI=1S/C58H94N2O5/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-44-55(61)64-54-49-51(60(62)63)48-50-45-46-58(65-56(50)54)57(3,4)52-42-39-40-43-53(52)59(58)47-41-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-2/h39-40,42-43,45-46,48-49H,5-38,41,44,47H2,1-4H3