4,4-dimethyl-6-(4-octylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-(4-octylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-(4-octylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(octylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-(4-octylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(octylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCCOC1=CC2=C(C=C1)NC(=O)OC2(C)C

Isomeric SMILES

CCCCCCCCSCCCCOC1=CC2=C(C=C1)NC(=O)OC2(C)C

InChI

InChI=1S/C22H35NO3S/c1-4-5-6-7-8-10-15-27-16-11-9-14-25-18-12-13-20-19(17-18)22(2,3)26-21(24)23-20/h12-13,17H,4-11,14-16H2,1-3H3,(H,23,24)