3-(4-hydroxyphenyl)-3-methyl-4-(9-pentylsulfanylnonyl)-2,4-dihydrothiochromen-7-ol

Systemtic Name: 3-(4-hydroxyphenyl)-3-methyl-4-(9-pentylsulfanylnonyl)-2,4-dihydrothiochromen-7-ol Openeye Name: 3-(4-hydroxyphenyl)-3-methyl-4-(9-pentylsulfanylnonyl)thiochroman-7-ol CAS Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-(pentylthio)nonyl]-2,4-dihydro-1-benzothiopyran-7-ol IUPAC Name: 3-(4-hydroxyphenyl)-3-methyl-4-(9-pentylsulfanylnonyl)-2,4-dihydrothiochromen-7-ol Traditional Name: 4-[9-(amylthio)nonyl]-3-(4-hydroxyphenyl)-3-methyl-thiochroman-7-ol Formula: C30H44O2S2 MolecularWeight: 500.79916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCCSCCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

InChI

InChI=1S/C30H44O2S2/c1-3-4-11-20-33-21-12-9-7-5-6-8-10-13-28-27-19-18-26(32)22-29(27)34-23-30(28,2)24-14-16-25(31)17-15-24/h14-19,22,28,31-32H,3-13,20-21,23H2,1-2H3