3-pentadecan-5-yloxybenzene-1,2-diolate

Systemtic Name: 3-pentadecan-5-yloxybenzene-1,2-diolate Openeye Name: 3-(1-butylundecoxy)benzene-1,2-diolate CAS Name: 3-pentadecan-5-yloxybenzene-1,2-diolate IUPAC Name: 3-pentadecan-5-yloxybenzene-1,2-diolate Traditional Name: 3-(1-butylundecoxy)benzene-1,2-diolate Formula: C21H34O3-2 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)OC1=CC=CC(=C1[O-])[O-]

Isomeric SMILES

CCCCCCCCCCC(CCCC)OC1=CC=CC(=C1[O-])[O-]

InChI

InChI=1S/C21H36O3/c1-3-5-7-8-9-10-11-12-15-18(14-6-4-2)24-20-17-13-16-19(22)21(20)23/h13,16-18,22-23H,3-12,14-15H2,1-2H3/p-2