[4-[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxyphenyl] hexadecanoate

Systemtic Name: [4-[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxyphenyl] hexadecanoate Openeye Name: [4-(1-formyl-2,3,4,5-tetrahydroxy-pentoxy)phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)oxyphenyl] ester IUPAC Name: [4-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)oxyphenyl] hexadecanoate Traditional Name: palmitic acid [4-(1-formyl-2,3,4,5-tetrahydroxy-pentoxy)phenyl] ester Formula: C28H46O8 MolecularWeight: 510.66004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(C=O)C(C(C(CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(C=O)C(C(C(CO)O)O)O

InChI

InChI=1S/C28H46O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(32)36-23-18-16-22(17-19-23)35-25(21-30)28(34)27(33)24(31)20-29/h16-19,21,24-25,27-29,31,33-34H,2-15,20H2,1H3