3-methylphenol; (E)-octadec-9-enoate

Systemtic Name: 3-methylphenol; (E)-octadec-9-enoate Openeye Name: m-cresol; (E)-octadec-9-enoate CAS Name: 3-methylphenol; (E)-9-octadecenoate IUPAC Name: 3-methylphenol; (E)-octadec-9-enoate Traditional Name: m-cresol; (E)-octadec-9-enoate Formula: C25H41O3- MolecularWeight: 389.59124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CC1=CC(=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C7H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-3-2-4-7(8)5-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5,8H,1H3/p-1/b10-9+;