4-pent-4-ynylbenzenesulfonic acid

Systemtic Name: 4-pent-4-ynylbenzenesulfonic acid Openeye Name: 4-pent-4-ynylbenzenesulfonic acid CAS Name: 4-pent-4-ynylbenzenesulfonic acid IUPAC Name: 4-pent-4-ynylbenzenesulfonic acid Traditional Name: 4-pent-4-ynylbesylic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C#CCCCC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H12O3S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h1,6-9H,3-5H2,(H,12,13,14)