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

Systemtic Name: 3-(3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl)propane-1-sulfonate Openeye Name: 3-(3',3',6-trimethylspiro[chromene-2,2'-indoline]-1'-yl)propane-1-sulfonate CAS Name: 3-(3',3',6-trimethyl-1'-spiro[1-benzopyran-2,2'-indole]yl)-1-propanesulfonate IUPAC Name: 3-(3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl)propane-1-sulfonate Traditional Name: 3-(3',3',6-trimethylspiro[chromene-2,2'-indoline]-1'-yl)propane-1-sulfonate Formula: C22H24NO4S- MolecularWeight: 398.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3(C=C2)C(C4=CC=CC=C4N3CCCS(=O)(=O)[O-])(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3(C=C2)C(C4=CC=CC=C4N3CCCS(=O)(=O)[O-])(C)C

InChI

InChI=1S/C22H25NO4S/c1-16-9-10-20-17(15-16)11-12-22(27-20)21(2,3)18-7-4-5-8-19(18)23(22)13-6-14-28(24,25)26/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,24,25,26)/p-1