4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene

Systemtic Name: 4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene Openeye Name: 4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene CAS Name: 4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene IUPAC Name: 4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene Traditional Name: 4a-isocyanato-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene Formula: C16H17NO MolecularWeight: 239.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CC=CCC2(C3=CC=CC=C13)N=C=O

Isomeric SMILES

CC1CC2CC=CCC2(C3=CC=CC=C13)N=C=O

InChI

InChI=1S/C16H17NO/c1-12-10-13-6-4-5-9-16(13,17-11-18)15-8-3-2-7-14(12)15/h2-5,7-8,12-13H,6,9-10H2,1H3