O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-isocyanatohexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-isocyanatohexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-isocyanatohexanedioate CAS Name: 2-isocyanatohexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-isocyanatohexanedioate Traditional Name: 2-isocyanatoadipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C30H43NO7 MolecularWeight: 529.66492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OC(=O)CCCCCCCCCCCCCCC=O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OC(=O)CCCCCCCCCCCCCCC=O)N=C=O

InChI

InChI=1S/C30H43NO7/c32-23-16-11-9-7-5-3-1-2-4-6-8-10-15-21-29(35)38-30(36)27(31-25-33)20-17-22-28(34)37-24-26-18-13-12-14-19-26/h12-14,18-19,23,27H,1-11,15-17,20-22,24H2