3-(2-isocyanato-6-oxidanylidene-6-phenylmethoxy-hexanoyl)oxyhexadecanoic acid

Systemtic Name: 3-(2-isocyanato-6-oxidanylidene-6-phenylmethoxy-hexanoyl)oxyhexadecanoic acid Openeye Name: 3-(6-benzyloxy-2-isocyanato-6-oxo-hexanoyl)oxyhexadecanoic acid CAS Name: 3-(2-isocyanato-1,6-dioxo-6-phenylmethoxyhexoxy)hexadecanoic acid IUPAC Name: 3-(2-isocyanato-6-oxo-6-phenylmethoxyhexanoyl)oxyhexadecanoic acid Traditional Name: 3-(6-benzoxy-2-isocyanato-6-keto-hexanoyl)oxypalmitic acid Formula: C30H45NO7 MolecularWeight: 531.6808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N=C=O

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N=C=O

InChI

InChI=1S/C30H45NO7/c1-2-3-4-5-6-7-8-9-10-11-15-19-26(22-28(33)34)38-30(36)27(31-24-32)20-16-21-29(35)37-23-25-17-13-12-14-18-25/h12-14,17-18,26-27H,2-11,15-16,19-23H2,1H3,(H,33,34)