7-phenylhept-4-yne-1-sulfonic acid

Systemtic Name: 7-phenylhept-4-yne-1-sulfonic acid Openeye Name: 7-phenylhept-4-yne-1-sulfonic acid CAS Name: 7-phenyl-4-heptyne-1-sulfonic acid IUPAC Name: 7-phenylhept-4-yne-1-sulfonic acid Traditional Name: 7-phenylhept-4-yne-1-sulfonic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC#CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC#CCCCS(=O)(=O)O

InChI

InChI=1S/C13H16O3S/c14-17(15,16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,3,5,8-9,12H2,(H,14,15,16)