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

Systemtic Name: 1-hexyl-5,8'-dimethoxy-3,3-dimethyl-6'-nitro-spiro[indole-2,2'-thiochromene] Openeye Name: 1-hexyl-5,8'-dimethoxy-3,3-dimethyl-6'-nitro-spiro[indoline-2,2'-thiochromene] CAS Name: 1'-hexyl-5',8-dimethoxy-3',3'-dimethyl-6-nitrospiro[1-benzothiopyran-2,2'-indole] IUPAC Name: 1-hexyl-5,8'-dimethoxy-3,3-dimethyl-6'-nitrospiro[indole-2,2'-thiochromene] Traditional Name: 1-hexyl-5,8'-dimethoxy-3,3-dimethyl-6'-nitro-spiro[indoline-2,2'-thiochromene] Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)OC)C(C13C=CC4=CC(=CC(=C4S3)OC)[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)OC)C(C13C=CC4=CC(=CC(=C4S3)OC)[N+](=O)[O-])(C)C

InChI

InChI=1S/C26H32N2O4S/c1-6-7-8-9-14-27-22-11-10-20(31-4)17-21(22)25(2,3)26(27)13-12-18-15-19(28(29)30)16-23(32-5)24(18)33-26/h10-13,15-17H,6-9,14H2,1-5H3