1-(1-azanylethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid

Systemtic Name: 1-(1-azanylethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid Openeye Name: 1-(1-aminoethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid CAS Name: 1-(1-aminoethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid IUPAC Name: 1-(1-aminoethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid Traditional Name: 1-(1-aminoethyl)cyclohexa-3,5-diene-1,3-diol; benzoic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO2.C7H6O2/c1-6(9)8(11)4-2-3-7(10)5-8;8-7(9)6-4-2-1-3-5-6/h2-4,6,10-11H,5,9H2,1H3;1-5H,(H,8,9)