[3-(1,3-benzoxazol-2-yl)-2-oxidanylidene-chromen-7-yl] nonanoate

Systemtic Name: [3-(1,3-benzoxazol-2-yl)-2-oxidanylidene-chromen-7-yl] nonanoate Openeye Name: [3-(1,3-benzoxazol-2-yl)-2-oxo-chromen-7-yl] nonanoate CAS Name: nonanoic acid [3-(1,3-benzoxazol-2-yl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] nonanoate Traditional Name: pelargonic acid [3-(1,3-benzoxazol-2-yl)-2-keto-chromen-7-yl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H25NO5/c1-2-3-4-5-6-7-12-23(27)29-18-14-13-17-15-19(25(28)31-22(17)16-18)24-26-20-10-8-9-11-21(20)30-24/h8-11,13-16H,2-7,12H2,1H3