4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol

Systemtic Name: 4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol Openeye Name: 4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-thiochroman-7-ol CAS Name: 4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-7-ol IUPAC Name: 4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol Traditional Name: 4-(1-azidononyl)-3-(4-hydroxyphenyl)-3-methyl-thiochroman-7-ol Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCC(C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)N=[N+]=[N-]

InChI

InChI=1S/C25H33N3O2S/c1-3-4-5-6-7-8-9-22(27-28-26)24-21-15-14-20(30)16-23(21)31-17-25(24,2)18-10-12-19(29)13-11-18/h10-16,22,24,29-30H,3-9,17H2,1-2H3