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

Systemtic Name: 6-[4-(4-cyclohexylphenyl)sulfinylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-cyclohexylphenyl)sulfinylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-(4-cyclohexylphenyl)sulfinylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-cyclohexylphenyl)sulfinylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-(4-cyclohexylphenyl)sulfinylbutoxy]-4,4-dihexyl-1H-3,1-benzoxazin-2-one Formula: C36H53NO4S MolecularWeight: 595.87532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H53NO4S/c1-3-5-7-12-24-36(25-13-8-6-4-2)33-28-31(20-23-34(33)37-35(38)41-36)40-26-14-15-27-42(39)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)