benzene-1,2,3-triol; phenol

Systemtic Name: benzene-1,2,3-triol; phenol Openeye Name: benzene-1,2,3-triol; phenol CAS Name: benzene-1,2,3-triol; phenol IUPAC Name: benzene-1,2,3-triol; phenol Traditional Name: phenol; pyrogallol Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O3.2C6H6O/c7-4-2-1-3-5(8)6(4)9;2*7-6-4-2-1-3-5-6/h1-3,7-9H;2*1-5,7H