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

Systemtic Name: 1'-hexadecyl-3',3'-dimethyl-8-nitro-spiro[chromene-2,2'-indole] Openeye Name: 1'-hexadecyl-3',3'-dimethyl-8-nitro-spiro[chromene-2,2'-indoline] CAS Name: 1'-hexadecyl-3',3'-dimethyl-8-nitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 1'-hexadecyl-3',3'-dimethyl-8-nitrospiro[chromene-2,2'-indole] Traditional Name: 1'-cetyl-3',3'-dimethyl-8-nitro-spiro[chromene-2,2'-indoline] Formula: C34H48N2O3 MolecularWeight: 532.75652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C(=CC=C4)[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C(=CC=C4)[N+](=O)[O-])(C)C

InChI

InChI=1S/C34H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-35-30-23-18-17-22-29(30)33(2,3)34(35)26-25-28-21-20-24-31(36(37)38)32(28)39-34/h17-18,20-26H,4-16,19,27H2,1-3H3