sodium; ethenylbenzene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonate

Systemtic Name: sodium; ethenylbenzene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonate Openeye Name: sodium; isoprene; (E)-2-phenylethenesulfonate; styrene CAS Name: sodium; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonate; styrene IUPAC Name: sodium; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonate; styrene Traditional Name: sodium; isoprene; (E)-2-phenylethenesulfonate; styrene Formula: C21H23NaO3S MolecularWeight: 378.46029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C.C=CC1=CC=CC=C1.C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=C)C=C.C=CC1=CC=CC=C1.C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H8O3S.C8H8.C5H8.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-8-6-4-3-5-7-8;1-4-5(2)3;/h1-7H,(H,9,10,11);2-7H,1H2;4H,1-2H2,3H3;/q;;;+1/p-1/b7-6+;;;