phenyl 3-(2-octoxycarbonylphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate

Systemtic Name: phenyl 3-(2-octoxycarbonylphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate Openeye Name: phenyl 3-(2-octoxycarbonylphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylate CAS Name: 3-[2-[octoxy(oxo)methyl]phenyl]sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylic acid phenyl ester IUPAC Name: phenyl 3-(2-octoxycarbonylphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-carboxylate Traditional Name: 4-keto-3-(2-octoxycarbonylphenyl)sulfonyl-1,2,3-benzotriazine-6-carboxylic acid phenyl ester Formula: C29H29N3O7S MolecularWeight: 563.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4)N=N2

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4)N=N2

InChI

InChI=1S/C29H29N3O7S/c1-2-3-4-5-6-12-19-38-29(35)23-15-10-11-16-26(23)40(36,37)32-27(33)24-20-21(17-18-25(24)30-31-32)28(34)39-22-13-8-7-9-14-22/h7-11,13-18,20H,2-6,12,19H2,1H3