(3',3',5'-trimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indole]-8-yl)methyl docosanoate

Systemtic Name: (3',3',5'-trimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indole]-8-yl)methyl docosanoate Openeye Name: (3',3',5'-trimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indoline]-8-yl)methyl docosanoate CAS Name: docosanoic acid (3',3',5'-trimethyl-6-nitro-1'-octadecyl-8-spiro[1-benzopyran-2,2'-indole]yl)methyl ester IUPAC Name: (3',3',5'-trimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole]-8-yl)methyl docosanoate Traditional Name: behenic acid (3',3',5'-trimethyl-6-nitro-1'-stearyl-spiro[chromene-2,2'-indoline]-8-yl)methyl ester Formula: C60H98N2O5 MolecularWeight: 927.43052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])C=CC3(O2)C(C4=C(N3CCCCCCCCCCCCCCCCCC)C=CC(=C4)C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])C=CC3(O2)C(C4=C(N3CCCCCCCCCCCCCCCCCC)C=CC(=C4)C)(C)C

InChI

InChI=1S/C60H98N2O5/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-57(63)66-50-53-49-54(62(64)65)48-52-44-45-60(67-58(52)53)59(4,5)55-47-51(3)42-43-56(55)61(60)46-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h42-45,47-49H,6-41,46,50H2,1-5H3