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

Systemtic Name: 3'-hexadecyl-1',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole] Openeye Name: 3'-hexadecyl-1',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline] CAS Name: 3'-hexadecyl-1',3'-dimethyl-6-nitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 3'-hexadecyl-1',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] Traditional Name: 3'-cetyl-1',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline] Formula: C34H48N2O3 MolecularWeight: 532.75652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C

InChI

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