[2-(hydroxymethyl)-1H-indol-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-1H-indol-7-yl] 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethyl)-1H-indol-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-1H-indol-7-yl] ester IUPAC Name: [2-(hydroxymethyl)-1H-indol-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methylol-1H-indol-7-yl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC(=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC(=C3)CO

InChI

InChI=1S/C16H15NO4S/c1-11-5-7-14(8-6-11)22(19,20)21-15-4-2-3-12-9-13(10-18)17-16(12)15/h2-9,17-18H,10H2,1H3