octyl 3-[3-tert-butyl-4-oxidanyl-5-[4-(5-sulfanylidenecyclohexa-1,3-dien-1-yl)benzotriazol-2-yl]phenyl]propanoate

Systemtic Name: octyl 3-[3-tert-butyl-4-oxidanyl-5-[4-(5-sulfanylidenecyclohexa-1,3-dien-1-yl)benzotriazol-2-yl]phenyl]propanoate Openeye Name: octyl 3-[3-tert-butyl-4-hydroxy-5-[4-(5-thioxocyclohexa-1,3-dien-1-yl)benzotriazol-2-yl]phenyl]propanoate CAS Name: 3-[3-tert-butyl-4-hydroxy-5-[4-(5-sulfanylidene-1-cyclohexa-1,3-dienyl)-2-benzotriazolyl]phenyl]propanoic acid octyl ester IUPAC Name: octyl 3-[3-tert-butyl-4-hydroxy-5-[4-(5-sulfanylidenecyclohexa-1,3-dien-1-yl)benzotriazol-2-yl]phenyl]propanoate Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-[4-(5-thioxocyclohexa-1,3-dien-1-yl)benzotriazol-2-yl]phenyl]propionic acid octyl ester Formula: C33H41N3O3S MolecularWeight: 559.76194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=C(C3=N2)C4=CC=CC(=S)C4)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=C(C3=N2)C4=CC=CC(=S)C4)O)C(C)(C)C

InChI

InChI=1S/C33H41N3O3S/c1-5-6-7-8-9-10-19-39-30(37)18-17-23-20-27(33(2,3)4)32(38)29(21-23)36-34-28-16-12-15-26(31(28)35-36)24-13-11-14-25(40)22-24/h11-16,20-21,38H,5-10,17-19,22H2,1-4H3