[(E,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxy-tridec-9-en-6-yl] 2-(4-nitrophenyl)ethanoate

Systemtic Name: [(E,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxy-tridec-9-en-6-yl] 2-(4-nitrophenyl)ethanoate Openeye Name: [(E,1S,7R)-1-(2-azido-5,5-dimethoxy-pentyl)-7-benzyloxy-oct-4-enyl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [(E,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxytridec-9-en-6-yl] ester IUPAC Name: [(E,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxytridec-9-en-6-yl] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [(E,1S,7R)-1-(2-azido-5,5-dimethoxy-pentyl)-7-benzoxy-oct-4-enyl] ester Formula: C30H40N4O7 MolecularWeight: 568.6612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCCC(CC(CCC(OC)OC)N=[N+]=[N-])OC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C/C=C/CC[C@@H](CC(CCC(OC)OC)N=[N+]=[N-])OC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C30H40N4O7/c1-23(40-22-25-11-7-5-8-12-25)10-6-4-9-13-28(21-26(32-33-31)16-19-30(38-2)39-3)41-29(35)20-24-14-17-27(18-15-24)34(36)37/h4-8,11-12,14-15,17-18,23,26,28,30H,9-10,13,16,19-22H2,1-3H3/b6-4+/t23-,26?,28+/m1/s1