hexadecanoate; 7-oxidanylchromen-2-one

Systemtic Name: hexadecanoate; 7-oxidanylchromen-2-one Openeye Name: hexadecanoate; 7-hydroxychromen-2-one CAS Name: hexadecanoate; 7-hydroxy-1-benzopyran-2-one IUPAC Name: hexadecanoate; 7-hydroxychromen-2-one Traditional Name: palmitate; umbelliferone Formula: C25H37O5- MolecularWeight: 417.55828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC2=C1C=CC(=O)O2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC2=C1C=CC(=O)O2)O

InChI

InChI=1S/C16H32O2.C9H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;10-7-3-1-6-2-4-9(11)12-8(6)5-7/h2-15H2,1H3,(H,17,18);1-5,10H/p-1