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benzotriazol-1-yl 1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

benzotriazol-1-yl 1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name:benzotriazol-1-yl 1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Openeye Name:benzotriazol-1-yl 6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CAS Name:6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid 1-benzotriazolyl ester
IUPAC Name:benzotriazol-1-yl 6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Traditional Name:6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid benzotriazol-1-yl ester
Formula: C23H25N3O3
MolecularWeight: 391.4629
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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)ON4C5=CC=CC=C5N=N4


Isomeric SMILES

CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)ON4C5=CC=CC=C5N=N4


InChI

InChI=1S/C23H25N3O3/c1-22-12-5-13-23(2,20(22)11-9-15-8-10-16(27)14-17(15)22)21(28)29-26-19-7-4-3-6-18(19)24-25-26/h3-4,6-8,10,14,20,27H,5,9,11-13H2,1-2H3


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