2-(2,4,8,10-tetratert-butylbenzo[d][1,3]benzodioxepin-6-yl)phosphanyloxyethanamine

Systemtic Name: 2-(2,4,8,10-tetratert-butylbenzo[d][1,3]benzodioxepin-6-yl)phosphanyloxyethanamine Openeye Name: 2-(2,4,8,10-tetratert-butylbenzo[d][1,3]benzodioxepin-6-yl)phosphanyloxyethanamine CAS Name: 2-[(2,4,8,10-tetratert-butyl-6-benzo[d][1,3]benzodioxepinyl)phosphinooxy]ethanamine IUPAC Name: 2-(2,4,8,10-tetratert-butylbenzo[d][1,3]benzodioxepin-6-yl)phosphanyloxyethanamine Traditional Name: 2-(2,4,8,10-tetratert-butylbenzo[d][1,3]benzodioxepin-6-yl)phosphinooxyethylamine Formula: C31H48NO3P MolecularWeight: 513.691481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C3=CC(=CC(=C3OC(O2)POCCN)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C3=CC(=CC(=C3OC(O2)POCCN)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H48NO3P/c1-28(2,3)19-15-21-22-16-20(29(4,5)6)18-24(31(10,11)12)26(22)35-27(36-33-14-13-32)34-25(21)23(17-19)30(7,8)9/h15-18,27,36H,13-14,32H2,1-12H3