4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene

Systemtic Name: 4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene Openeye Name: 4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene CAS Name: 4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene IUPAC Name: 4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene Traditional Name: 4a-isocyanato-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthrene Formula: C17H21NO MolecularWeight: 255.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CCCCC2(C3=CC=CC=C31)N=C=O)C

Isomeric SMILES

CC1(CC2CCCCC2(C3=CC=CC=C31)N=C=O)C

InChI

InChI=1S/C17H21NO/c1-16(2)11-13-7-5-6-10-17(13,18-12-19)15-9-4-3-8-14(15)16/h3-4,8-9,13H,5-7,10-11H2,1-2H3