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

Systemtic Name: 4,4-dihexyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dihexyl-6-[4-(p-tolylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dihexyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dihexyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dihexyl-6-[4-(p-tolylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one Formula: C31H45NO4S MolecularWeight: 527.7583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO4S/c1-4-6-8-10-20-31(21-11-9-7-5-2)28-24-26(16-19-29(28)32-30(33)36-31)35-22-12-13-23-37(34)27-17-14-25(3)15-18-27/h14-19,24H,4-13,20-23H2,1-3H3,(H,32,33)