3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propane-1-sulfonate

Systemtic Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propane-1-sulfonate Openeye Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propane-1-sulfonate CAS Name: 3-(3',3'-dimethyl-6-nitro-1'-spiro[1-benzopyran-2,2'-indole]yl)-1-propanesulfonate IUPAC Name: 3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propane-1-sulfonate Traditional Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propane-1-sulfonate Formula: C21H21N2O6S- MolecularWeight: 429.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C21H22N2O6S/c1-20(2)17-6-3-4-7-18(17)22(12-5-13-30(26,27)28)21(20)11-10-15-14-16(23(24)25)8-9-19(15)29-21/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,27,28)/p-1