1'-hexadecyl-3',3'-dimethyl-8-nitro-spiro[benzo[f]chromene-3,2'-indole]

Systemtic Name: 1'-hexadecyl-3',3'-dimethyl-8-nitro-spiro[benzo[f]chromene-3,2'-indole] Openeye Name: 1'-hexadecyl-3',3'-dimethyl-8-nitro-spiro[benzo[f]chromene-3,2'-indoline] CAS Name: 1'-hexadecyl-3',3'-dimethyl-8-nitrospiro[benzo[f][1]benzopyran-3,2'-indole] IUPAC Name: 1'-hexadecyl-3',3'-dimethyl-8-nitrospiro[benzo[f]chromene-3,2'-indole] Traditional Name: 1'-cetyl-3',3'-dimethyl-8-nitro-spiro[benzo[f]chromene-3,2'-indoline] Formula: C38H50N2O3 MolecularWeight: 582.8152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C=CC5=C4C=CC(=C5)[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C=CC5=C4C=CC(=C5)[N+](=O)[O-])(C)C

InChI

InChI=1S/C38H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-39-35-21-18-17-20-34(35)37(2,3)38(39)27-26-33-32-24-23-31(40(41)42)29-30(32)22-25-36(33)43-38/h17-18,20-27,29H,4-16,19,28H2,1-3H3