3-(3-methoxyphenyl)-4-methyl-2-prop-2-ynyl-benzenesulfonic acid

Systemtic Name: 3-(3-methoxyphenyl)-4-methyl-2-prop-2-ynyl-benzenesulfonic acid Openeye Name: 3-(3-methoxyphenyl)-4-methyl-2-prop-2-ynyl-benzenesulfonic acid CAS Name: 3-(3-methoxyphenyl)-4-methyl-2-prop-2-ynylbenzenesulfonic acid IUPAC Name: 3-(3-methoxyphenyl)-4-methyl-2-prop-2-ynylbenzenesulfonic acid Traditional Name: 3-(3-methoxyphenyl)-4-methyl-2-propargyl-besylic acid Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)CC#C)C2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)CC#C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C17H16O4S/c1-4-6-15-16(22(18,19)20)10-9-12(2)17(15)13-7-5-8-14(11-13)21-3/h1,5,7-11H,6H2,2-3H3,(H,18,19,20)