3,3-dimethyl-6'-nitro-1-octadecyl-spiro[indole-2,2'-thiochromene]

Systemtic Name: 3,3-dimethyl-6'-nitro-1-octadecyl-spiro[indole-2,2'-thiochromene] Openeye Name: 3,3-dimethyl-6'-nitro-1-octadecyl-spiro[indoline-2,2'-thiochromene] CAS Name: 3',3'-dimethyl-6-nitro-1'-octadecylspiro[1-benzothiopyran-2,2'-indole] IUPAC Name: 3,3-dimethyl-6'-nitro-1-octadecylspiro[indole-2,2'-thiochromene] Traditional Name: 3,3-dimethyl-6'-nitro-1-stearyl-spiro[indoline-2,2'-thiochromene] Formula: C36H52N2O2S MolecularWeight: 576.87528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])(C)C

InChI

InChI=1S/C36H52N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-37-33-23-20-19-22-32(33)35(2,3)36(37)27-26-30-29-31(38(39)40)24-25-34(30)41-36/h19-20,22-27,29H,4-18,21,28H2,1-3H3