2-ethenylbenzenesulfonic acid; 1-phenylbut-3-en-1-one

Systemtic Name: 2-ethenylbenzenesulfonic acid; 1-phenylbut-3-en-1-one Openeye Name: 1-phenylbut-3-en-1-one; 2-vinylbenzenesulfonic acid CAS Name: 2-ethenylbenzenesulfonic acid; 1-phenyl-3-buten-1-one IUPAC Name: 2-ethenylbenzenesulfonic acid; 1-phenylbut-3-en-1-one Traditional Name: 1-phenylbut-3-en-1-one; 2-vinylbesylic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)C1=CC=CC=C1.C=CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

C=CCC(=O)C1=CC=CC=C1.C=CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C10H10O.C8H8O3S/c1-2-6-10(11)9-7-4-3-5-8-9;1-2-7-5-3-4-6-8(7)12(9,10)11/h2-5,7-8H,1,6H2;2-6H,1H2,(H,9,10,11)