6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Formula: C36H53NO3S MolecularWeight: 579.87592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)CCCCCC

Isomeric SMILES

CCCCCCC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)CCCCCC

InChI

InChI=1S/C36H53NO3S/c1-3-5-7-12-24-36(25-13-8-6-4-2)33-28-31(20-23-34(33)37-35(38)40-36)39-26-14-15-27-41-32-21-18-30(19-22-32)29-16-10-9-11-17-29/h18-23,28-29H,3-17,24-27H2,1-2H3,(H,37,38)