5-(4-chlorophenyl)-2-sulfonyl-pent-4-ynoic acid; methylbenzene

Systemtic Name: 5-(4-chlorophenyl)-2-sulfonyl-pent-4-ynoic acid; methylbenzene Openeye Name: 5-(4-chlorophenyl)-2-sulfonyl-pent-4-ynoic acid; toluene CAS Name: 5-(4-chlorophenyl)-2-sulfonyl-4-pentynoic acid; toluene IUPAC Name: 5-(4-chlorophenyl)-2-sulfonylpent-4-ynoic acid; toluene Traditional Name: 5-(4-chlorophenyl)-2-sulfonyl-pent-4-ynoic acid; toluene Formula: C18H15ClO4S MolecularWeight: 362.8273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC(=CC=C1C#CCC(=S(=O)=O)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1.C1=CC(=CC=C1C#CCC(=S(=O)=O)C(=O)O)Cl

InChI

InChI=1S/C11H7ClO4S.C7H8/c12-9-6-4-8(5-7-9)2-1-3-10(11(13)14)17(15)16;1-7-5-3-2-4-6-7/h4-7H,3H2,(H,13,14);2-6H,1H3