2,2-dimethyl-5,7-bis[5-(1-phenylethylsulfanyl)benzotriazol-2-yl]-1,3-benzodioxole-4,6-diol

Systemtic Name: 2,2-dimethyl-5,7-bis[5-(1-phenylethylsulfanyl)benzotriazol-2-yl]-1,3-benzodioxole-4,6-diol Openeye Name: 2,2-dimethyl-5,7-bis[5-(1-phenylethylsulfanyl)benzotriazol-2-yl]-1,3-benzodioxole-4,6-diol CAS Name: 2,2-dimethyl-5,7-bis[5-(1-phenylethylthio)-2-benzotriazolyl]-1,3-benzodioxole-4,6-diol IUPAC Name: 2,2-dimethyl-5,7-bis[5-(1-phenylethylsulfanyl)benzotriazol-2-yl]-1,3-benzodioxole-4,6-diol Traditional Name: 2,2-dimethyl-5,7-bis[5-(1-phenylethylthio)benzotriazol-2-yl]-1,3-benzodioxole-4,6-diol Formula: C37H32N6O4S2 MolecularWeight: 688.81778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=CC3=NN(N=C3C=C2)C4=C(C(=C5C(=C4O)OC(O5)(C)C)N6N=C7C=CC(=CC7=N6)SC(C)C8=CC=CC=C8)O

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=CC3=NN(N=C3C=C2)C4=C(C(=C5C(=C4O)OC(O5)(C)C)N6N=C7C=CC(=CC7=N6)SC(C)C8=CC=CC=C8)O

InChI

InChI=1S/C37H32N6O4S2/c1-21(23-11-7-5-8-12-23)48-25-15-17-27-29(19-25)40-42(38-27)31-33(44)32(35-36(34(31)45)47-37(3,4)46-35)43-39-28-18-16-26(20-30(28)41-43)49-22(2)24-13-9-6-10-14-24/h5-22,44-45H,1-4H3