dodecyl 3-(2,5-dioctoxyphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-sulfonate

Systemtic Name: dodecyl 3-(2,5-dioctoxyphenyl)sulfonyl-4-oxidanylidene-1,2,3-benzotriazine-6-sulfonate Openeye Name: dodecyl 3-(2,5-dioctoxyphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-sulfonate CAS Name: 3-(2,5-dioctoxyphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-sulfonic acid dodecyl ester IUPAC Name: dodecyl 3-(2,5-dioctoxyphenyl)sulfonyl-4-oxo-1,2,3-benzotriazine-6-sulfonate Traditional Name: 3-(2,5-dioctoxyphenyl)sulfonyl-4-keto-1,2,3-benzotriazine-6-sulfonic acid lauryl ester Formula: C41H65N3O8S2 MolecularWeight: 792.1001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=CC2=C(C=C1)N=NN(C2=O)S(=O)(=O)C3=C(C=CC(=C3)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC2=C(C=C1)N=NN(C2=O)S(=O)(=O)C3=C(C=CC(=C3)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C41H65N3O8S2/c1-4-7-10-13-16-17-18-19-22-25-32-52-54(48,49)36-27-28-38-37(34-36)41(45)44(43-42-38)53(46,47)40-33-35(50-30-23-20-14-11-8-5-2)26-29-39(40)51-31-24-21-15-12-9-6-3/h26-29,33-34H,4-25,30-32H2,1-3H3