4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene

Systemtic Name: 4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Openeye Name: 4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene CAS Name: 4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene IUPAC Name: 4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Traditional Name: 4a-isocyanato-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Formula: C15H17NO MolecularWeight: 227.30158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)CCC3=CC=CC=C32)N=C=O

Isomeric SMILES

C1CCC2(C(C1)CCC3=CC=CC=C32)N=C=O

InChI

InChI=1S/C15H17NO/c17-11-16-15-10-4-3-6-13(15)9-8-12-5-1-2-7-14(12)15/h1-2,5,7,13H,3-4,6,8-10H2