3-methylphenol; 2-oxidanyloctadecanoate

Systemtic Name: 3-methylphenol; 2-oxidanyloctadecanoate Openeye Name: 2-hydroxyoctadecanoate; m-cresol CAS Name: 2-hydroxyoctadecanoate; 3-methylphenol IUPAC Name: 2-hydroxyoctadecanoate; 3-methylphenol Traditional Name: 2-hydroxystearate; m-cresol Formula: C25H43O4- MolecularWeight: 407.60652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)[O-])O.CC1=CC(=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)[O-])O.CC1=CC(=CC=C1)O

InChI

InChI=1S/C18H36O3.C7H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;1-6-3-2-4-7(8)5-6/h17,19H,2-16H2,1H3,(H,20,21);2-5,8H,1H3/p-1