carbon monoxide; chromium; (3R,4S)-4-(phenylmethyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

Systemtic Name: carbon monoxide; chromium; (3R,4S)-4-(phenylmethyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine Openeye Name: (3R,4S)-4-benzyl-N,N-dipropyl-chroman-3-amine; carbon monoxide; chromium CAS Name: carbon monoxide; chromium; (3R,4S)-4-(phenylmethyl)-N,N-dipropyl-3,4-dihydro-2H-1-benzopyran-3-amine IUPAC Name: (3R,4S)-4-benzyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine; carbon monoxide; chromium Traditional Name: [(3R,4S)-4-benzylchroman-3-yl]-dipropyl-amine; carbon monoxide; chromium Formula: C25H29CrNO4 MolecularWeight: 459.49816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1COC2=CC=CC=C2C1CC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Isomeric SMILES

CCCN(CCC)[C@H]1COC2=CC=CC=C2[C@@H]1CC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

InChI

InChI=1S/C22H29NO.3CO.Cr/c1-3-14-23(15-4-2)21-17-24-22-13-9-8-12-19(22)20(21)16-18-10-6-5-7-11-18;3*1-2;/h5-13,20-21H,3-4,14-17H2,1-2H3;;;;/t20-,21-;;;;/m0..../s1