4-[5-[3-butylsulfanylpropyl(methyl)amino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol

Systemtic Name: 4-[5-[3-butylsulfanylpropyl(methyl)amino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol Openeye Name: 4-[5-[3-butylsulfanylpropyl(methyl)amino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-chroman-7-ol CAS Name: 4-[5-[3-(butylthio)propyl-methylamino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 4-[5-[3-butylsulfanylpropyl(methyl)amino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol Traditional Name: 4-[5-[3-(butylthio)propyl-methyl-amino]pentyl]-3-(4-hydroxyphenyl)-3-methyl-chroman-7-ol Formula: C29H43NO3S MolecularWeight: 485.72162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCN(C)CCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCSCCCN(C)CCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O

InChI

InChI=1S/C29H43NO3S/c1-4-5-19-34-20-9-18-30(3)17-8-6-7-10-27-26-16-15-25(32)21-28(26)33-22-29(27,2)23-11-13-24(31)14-12-23/h11-16,21,27,31-32H,4-10,17-20,22H2,1-3H3