4-[9-[3-(dimethylamino)propylsulfanyl]nonyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol

Systemtic Name: 4-[9-[3-(dimethylamino)propylsulfanyl]nonyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol Openeye Name: 4-[9-[3-(dimethylamino)propylsulfanyl]nonyl]-3-(4-hydroxyphenyl)-3-methyl-thiochroman-7-ol CAS Name: 4-[9-[3-(dimethylamino)propylthio]nonyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-7-ol IUPAC Name: 4-[9-[3-(dimethylamino)propylsulfanyl]nonyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-7-ol Traditional Name: 4-[9-[3-(dimethylamino)propylthio]nonyl]-3-(4-hydroxyphenyl)-3-methyl-thiochroman-7-ol Formula: C30H45NO2S2 MolecularWeight: 515.8138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCSCCCN(C)C)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCSCCCN(C)C)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C30H45NO2S2/c1-30(24-13-15-25(32)16-14-24)23-35-29-22-26(33)17-18-27(29)28(30)12-9-7-5-4-6-8-10-20-34-21-11-19-31(2)3/h13-18,22,28,32-33H,4-12,19-21,23H2,1-3H3