phenyl 3-(2-hydroxyphenyl)-6-iodanyl-10-azaspiro[4.5]decane-10-sulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-6-iodanyl-10-azaspiro[4.5]decane-10-sulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-6-iodo-10-azaspiro[4.5]decane-10-sulfonate CAS Name: 3-(2-hydroxyphenyl)-6-iodo-10-azaspiro[4.5]decane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-6-iodo-10-azaspiro[4.5]decane-10-sulfonate Traditional Name: 3-(2-hydroxyphenyl)-6-iodo-10-azaspiro[4.5]decane-10-sulfonic acid phenyl ester Formula: C21H24INO4S MolecularWeight: 513.38903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)OC4=CC=CC=C4)I

Isomeric SMILES

C1CC(C2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)OC4=CC=CC=C4)I

InChI

InChI=1S/C21H24INO4S/c22-20-11-6-14-23(28(25,26)27-17-7-2-1-3-8-17)21(20)13-12-16(15-21)18-9-4-5-10-19(18)24/h1-5,7-10,16,20,24H,6,11-15H2