2-[3,3-bis(hydroxymethyl)-2-methyl-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3,3-bis(hydroxymethyl)-2-methyl-indol-5-yl]ethanoic acid Openeye Name: 2-[3,3-bis(hydroxymethyl)-2-methyl-indol-5-yl]acetic acid CAS Name: 2-[3,3-bis(hydroxymethyl)-2-methyl-5-indolyl]acetic acid IUPAC Name: 2-[3,3-bis(hydroxymethyl)-2-methylindol-5-yl]acetic acid Traditional Name: 2-(2-methyl-3,3-dimethylol-indol-5-yl)acetic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(CO)CO)C=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=NC2=C(C1(CO)CO)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C13H15NO4/c1-8-13(6-15,7-16)10-4-9(5-12(17)18)2-3-11(10)14-8/h2-4,15-16H,5-7H2,1H3,(H,17,18)