6-methylsulfonyl-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one

Systemtic Name: 6-methylsulfonyl-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 6-methylsulfonyl-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one CAS Name: 6-methylsulfonyl-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 6-methylsulfonyl-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 6-mesyl-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonyl-1,2,3-benzotriazin-4-one Formula: C30H43N3O6S2 MolecularWeight: 605.80892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N=N2

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N=N2

InChI

InChI=1S/C30H43N3O6S2/c1-8-9-10-11-12-13-18-39-26-17-14-22(30(5,6)21-29(2,3)4)19-27(26)41(37,38)33-28(34)24-20-23(40(7,35)36)15-16-25(24)31-32-33/h14-17,19-20H,8-13,18,21H2,1-7H3