6-[[2,5-bis(benzotriazol-1-yl)-3,6-bis(oxidanylidene)-4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]cyclohexa-1,4-dien-1-yl]amino]hexanoic acid

Systemtic Name: 6-[[2,5-bis(benzotriazol-1-yl)-3,6-bis(oxidanylidene)-4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]cyclohexa-1,4-dien-1-yl]amino]hexanoic acid Openeye Name: 6-[[2,5-bis(benzotriazol-1-yl)-4-[(6-hydroxy-6-oxo-hexyl)amino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]hexanoic acid CAS Name: 6-[[2,5-bis(1-benzotriazolyl)-4-[(6-hydroxy-6-oxohexyl)amino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]hexanoic acid IUPAC Name: 6-[[2,5-bis(benzotriazol-1-yl)-4-[(6-hydroxy-6-oxohexyl)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]hexanoic acid Traditional Name: 6-[[2,5-bis(benzotriazol-1-yl)-4-[(6-hydroxy-6-keto-hexyl)amino]-3,6-diketo-cyclohexa-1,4-dien-1-yl]amino]hexanoic acid Formula: C30H32N8O6 MolecularWeight: 600.62508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=O)C(=C(C3=O)NCCCCCC(=O)O)N4C5=CC=CC=C5N=N4)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=O)C(=C(C3=O)NCCCCCC(=O)O)N4C5=CC=CC=C5N=N4)NCCCCCC(=O)O

InChI

InChI=1S/C30H32N8O6/c39-23(40)15-3-1-9-17-31-25-27(37-21-13-7-5-11-19(21)33-35-37)30(44)26(32-18-10-2-4-16-24(41)42)28(29(25)43)38-22-14-8-6-12-20(22)34-36-38/h5-8,11-14,31-32H,1-4,9-10,15-18H2,(H,39,40)(H,41,42)