benzoic acid; ethanoic acid; 1-methylindole

Systemtic Name: benzoic acid; ethanoic acid; 1-methylindole Openeye Name: acetic acid; benzoic acid; 1-methylindole CAS Name: acetic acid; benzoic acid; 1-methylindole IUPAC Name: acetic acid; benzoic acid; 1-methylindole Traditional Name: acetic acid; benzoic acid; 1-methylindole Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)O.CN1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H9N.C7H6O2.C2H4O2/c1-10-7-6-8-4-2-3-5-9(8)10;8-7(9)6-4-2-1-3-5-6;1-2(3)4/h2-7H,1H3;1-5H,(H,8,9);1H3,(H,3,4)