3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid Openeye Name: 3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid CAS Name: 3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid IUPAC Name: 3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid Traditional Name: 3-(4-tert-butylphenoxy)sulfonyl-3H-indene-1-carboxylic acid Formula: C20H20O5S MolecularWeight: 372.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2C=C(C3=CC=CC=C23)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2C=C(C3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C20H20O5S/c1-20(2,3)13-8-10-14(11-9-13)25-26(23,24)18-12-17(19(21)22)15-6-4-5-7-16(15)18/h4-12,18H,1-3H3,(H,21,22)