5-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile

Systemtic Name: 5-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile Openeye Name: 5-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfanyl]pentanenitrile CAS Name: 5-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonylthio]pentanenitrile IUPAC Name: 5-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile Traditional Name: 5-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylthio]valeronitrile Formula: C30H41NO2S2 MolecularWeight: 511.78204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCSCCCCC#N)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCSCCCCC#N)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C30H41NO2S2/c1-30(24-13-15-25(32)16-14-24)23-35-29-22-26(33)17-18-27(29)28(30)12-8-5-3-2-4-6-10-20-34-21-11-7-9-19-31/h13-18,22,28,32-33H,2-12,20-21,23H2,1H3