[2-[4-(6-nonanoyloxy-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] nonanoate

Systemtic Name: [2-[4-(6-nonanoyloxy-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] nonanoate Openeye Name: [2-[4-(6-nonanoyloxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-6-yl] nonanoate CAS Name: nonanoic acid [4-oxo-2-[4-[4-oxo-6-(1-oxononoxy)-3,1-benzoxazin-2-yl]phenyl]-3,1-benzoxazin-6-yl] ester IUPAC Name: [2-[4-(6-nonanoyloxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-6-yl] nonanoate Traditional Name: pelargonic acid [4-keto-2-[4-(4-keto-6-pelargonyloxy-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-6-yl] ester Formula: C40H44N2O8 MolecularWeight: 680.78596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)OC(=O)CCCCCCCC)C(=O)O4

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)OC(=O)CCCCCCCC)C(=O)O4

InChI

InChI=1S/C40H44N2O8/c1-3-5-7-9-11-13-15-35(43)47-29-21-23-33-31(25-29)39(45)49-37(41-33)27-17-19-28(20-18-27)38-42-34-24-22-30(26-32(34)40(46)50-38)48-36(44)16-14-12-10-8-6-4-2/h17-26H,3-16H2,1-2H3