2-ethylhexyl 3-(4-dodecoxycarbonylphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate

Systemtic Name: 2-ethylhexyl 3-(4-dodecoxycarbonylphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate Openeye Name: 2-ethylhexyl 3-(4-dodecoxycarbonylphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylate CAS Name: 3-[4-[dodecoxy(oxo)methyl]phenyl]sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(4-dodecoxycarbonylphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylate Traditional Name: 4-keto-3-(4-lauryloxycarbonylphenyl)sulfonyl-1,2,3-benzotriazine-6-carboxylic acid 2-ethylhexyl ester Formula: C35H49N3O7S MolecularWeight: 655.84446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)C(=O)OCC(CC)CCCC)N=N2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)C(=O)OCC(CC)CCCC)N=N2

InChI

InChI=1S/C35H49N3O7S/c1-4-7-9-10-11-12-13-14-15-16-24-44-34(40)28-18-21-30(22-19-28)46(42,43)38-33(39)31-25-29(20-23-32(31)36-37-38)35(41)45-26-27(6-3)17-8-5-2/h18-23,25,27H,4-17,24,26H2,1-3H3