3-methylphenol; phenol; 4-propoxyphenol

Systemtic Name: 3-methylphenol; phenol; 4-propoxyphenol Openeye Name: m-cresol; phenol; 4-propoxyphenol CAS Name: 3-methylphenol; phenol; 4-propoxyphenol IUPAC Name: 3-methylphenol; phenol; 4-propoxyphenol Traditional Name: m-cresol; phenol; 4-propoxyphenol Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.C1=CC=C(C=C1)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.C1=CC=C(C=C1)O

InChI

InChI=1S/C9H12O2.C7H8O.C6H6O/c1-2-7-11-9-5-3-8(10)4-6-9;1-6-3-2-4-7(8)5-6;7-6-4-2-1-3-5-6/h3-6,10H,2,7H2,1H3;2-5,8H,1H3;1-5,7H