2-icosyl-3,4-bis(oxidanyl)benzoate

Systemtic Name: 2-icosyl-3,4-bis(oxidanyl)benzoate Openeye Name: 3,4-dihydroxy-2-icosyl-benzoate CAS Name: 2-eicosyl-3,4-dihydroxybenzoate IUPAC Name: 3,4-dihydroxy-2-icosylbenzoate Traditional Name: 2-arachyl-3,4-dihydroxy-benzoate Formula: C27H45O4- MolecularWeight: 433.6438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)[O-]

InChI

InChI=1S/C27H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(27(30)31)21-22-25(28)26(23)29/h21-22,28-29H,2-20H2,1H3,(H,30,31)/p-1