(2-methanoyl-1H-indol-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methanoyl-1H-indol-7-yl) 4-methylbenzenesulfonate Openeye Name: (2-formyl-1H-indol-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-formyl-1H-indol-7-yl) ester IUPAC Name: (2-formyl-1H-indol-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-formyl-1H-indol-7-yl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/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/h2-10,17H,1H3