3-[(4-nonylphenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)pentanoic acid

Systemtic Name: 3-[(4-nonylphenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)pentanoic acid Openeye Name: 3,4-dihydroxy-3-[hydroxy-(4-nonylphenyl)methyl]pentanoic acid CAS Name: 3,4-dihydroxy-3-[hydroxy-(4-nonylphenyl)methyl]pentanoic acid IUPAC Name: 3,4-dihydroxy-3-[hydroxy-(4-nonylphenyl)methyl]pentanoic acid Traditional Name: 3,4-dihydroxy-3-[hydroxy-(4-nonylphenyl)methyl]valeric acid Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CC(=O)O)(C(C)O)O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CC(=O)O)(C(C)O)O)O

InChI

InChI=1S/C21H34O5/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20(25)21(26,16(2)22)15-19(23)24/h11-14,16,20,22,25-26H,3-10,15H2,1-2H3,(H,23,24)