1'-hexadecyl-3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]

Systemtic Name: 1'-hexadecyl-3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole] Openeye Name: 1'-hexadecyl-3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline] CAS Name: 1'-hexadecyl-3',3'-dimethyl-6-nitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 1'-hexadecyl-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] Traditional Name: 1'-cetyl-3',3'-dimethyl-6-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-35-31-21-18-17-20-30(31)33(2,3)34(35)25-24-28-27-29(36(37)38)22-23-32(28)39-34/h17-18,20-25,27H,4-16,19,26H2,1-3H3