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

Systemtic Name: 2-[3-[bis(oxidanyl)methyl]-3-methyl-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(dihydroxymethyl)-3-methyl-indol-5-yl]acetic acid CAS Name: 2-[3-(dihydroxymethyl)-3-methyl-5-indolyl]acetic acid IUPAC Name: 2-[3-(dihydroxymethyl)-3-methylindol-5-yl]acetic acid Traditional Name: 2-[3-(dihydroxymethyl)-3-methyl-indol-5-yl]acetic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=NC2=C1C=C(C=C2)CC(=O)O)C(O)O

Isomeric SMILES

CC1(C=NC2=C1C=C(C=C2)CC(=O)O)C(O)O

InChI

InChI=1S/C12H13NO4/c1-12(11(16)17)6-13-9-3-2-7(4-8(9)12)5-10(14)15/h2-4,6,11,16-17H,5H2,1H3,(H,14,15)