1'-hexadecyl-8-methoxy-3',3'-dimethyl-5,6-dinitro-spiro[chromene-2,2'-indole]

Systemtic Name: 1'-hexadecyl-8-methoxy-3',3'-dimethyl-5,6-dinitro-spiro[chromene-2,2'-indole] Openeye Name: 1'-hexadecyl-8-methoxy-3',3'-dimethyl-5,6-dinitro-spiro[chromene-2,2'-indoline] CAS Name: 1'-hexadecyl-8-methoxy-3',3'-dimethyl-5,6-dinitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 1'-hexadecyl-8-methoxy-3',3'-dimethyl-5,6-dinitrospiro[chromene-2,2'-indole] Traditional Name: 1'-cetyl-8-methoxy-3',3'-dimethyl-5,6-dinitro-spiro[chromene-2,2'-indoline] Formula: C35H49N3O6 MolecularWeight: 607.78006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(C(=CC(=C4O3)OC)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(C(=CC(=C4O3)OC)[N+](=O)[O-])[N+](=O)[O-])(C)C

InChI

InChI=1S/C35H49N3O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36-29-22-19-18-21-28(29)34(2,3)35(36)24-23-27-32(38(41)42)30(37(39)40)26-31(43-4)33(27)44-35/h18-19,21-24,26H,5-17,20,25H2,1-4H3