1-hexyl-5,7,8'-trimethoxy-3,3-dimethyl-6'-nitro-spiro[indole-2,2'-thiochromene]

Systemtic Name: 1-hexyl-5,7,8'-trimethoxy-3,3-dimethyl-6'-nitro-spiro[indole-2,2'-thiochromene] Openeye Name: 1-hexyl-5,7,8'-trimethoxy-3,3-dimethyl-6'-nitro-spiro[indoline-2,2'-thiochromene] CAS Name: 1'-hexyl-5',7',8-trimethoxy-3',3'-dimethyl-6-nitrospiro[1-benzothiopyran-2,2'-indole] IUPAC Name: 1-hexyl-5,7,8'-trimethoxy-3,3-dimethyl-6'-nitrospiro[indole-2,2'-thiochromene] Traditional Name: 1-hexyl-5,7,8'-trimethoxy-3,3-dimethyl-6'-nitro-spiro[indoline-2,2'-thiochromene] Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2C(C13C=CC4=CC(=CC(=C4S3)OC)[N+](=O)[O-])(C)C)OC)OC

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2C(C13C=CC4=CC(=CC(=C4S3)OC)[N+](=O)[O-])(C)C)OC)OC

InChI

InChI=1S/C27H34N2O5S/c1-7-8-9-10-13-28-24-21(16-20(32-4)17-22(24)33-5)26(2,3)27(28)12-11-18-14-19(29(30)31)15-23(34-6)25(18)35-27/h11-12,14-17H,7-10,13H2,1-6H3