(5S)-2,2-dibutyl-5-(phenylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one

Systemtic Name: (5S)-2,2-dibutyl-5-(phenylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one Openeye Name: (5S)-5-benzyl-2,2-dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one CAS Name: (5S)-2,2-dibutyl-5-(phenylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one IUPAC Name: (5S)-5-benzyl-2,2-dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one Traditional Name: (4S)-4-benzyl-7,7-dibutyl-6,8-dioxa-3-aza-7-stannabicyclo[7.4.0]trideca-1(13),2,9,11-tetraen-5-one Formula: C24H31NO3Sn MolecularWeight: 500.21784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]1(OC2=CC=CC=C2C=NC(C(=O)O1)CC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCC[Sn]1(OC2=CC=CC=C2C=N[C@H](C(=O)O1)CC3=CC=CC=C3)CCCC

InChI

InChI=1S/C16H15NO3.2C4H9.Sn/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;2*1-3-4-2;/h1-9,11,14,18H,10H2,(H,19,20);2*1,3-4H2,2H3;/q;;;+2/p-2/t14-;;;/m0.../s1