3-(4-hydroxyphenyl)-3-methyl-4-[9-(2-piperidin-1-ylethylsulfanyl)nonyl]-2,4-dihydrochromen-7-ol

Systemtic Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-(2-piperidin-1-ylethylsulfanyl)nonyl]-2,4-dihydrochromen-7-ol Openeye Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-[2-(1-piperidyl)ethylsulfanyl]nonyl]chroman-7-ol CAS Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-[2-(1-piperidinyl)ethylthio]nonyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-(2-piperidin-1-ylethylsulfanyl)nonyl]-2,4-dihydrochromen-7-ol Traditional Name: 3-(4-hydroxyphenyl)-3-methyl-4-[9-(2-piperidinoethylthio)nonyl]chroman-7-ol Formula: C32H47NO3S MolecularWeight: 525.78548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1CCCCCCCCCSCCN3CCCCC3)C=CC(=C2)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(COC2=C(C1CCCCCCCCCSCCN3CCCCC3)C=CC(=C2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C32H47NO3S/c1-32(26-13-15-27(34)16-14-26)25-36-31-24-28(35)17-18-29(31)30(32)12-8-5-3-2-4-6-11-22-37-23-21-33-19-9-7-10-20-33/h13-18,24,30,34-35H,2-12,19-23,25H2,1H3