sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; ethenylbenzene; 2-methylpropane

Systemtic Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; ethenylbenzene; 2-methylpropane Openeye Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylpropane; styrene CAS Name: sodium; (1Z,3E)-1,4-diphenyl-2-buta-1,3-dienesulfonic acid; 2-methylpropane; styrene IUPAC Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylpropane; styrene Traditional Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylpropane; styrene Formula: C28H31NaO3S MolecularWeight: 470.59871

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](C)C.C=CC1=CC=CC=C1.C1=CC=C(C=C1)C=CC(=CC2=CC=CC=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

C[C-](C)C.C=CC1=CC=CC=C1.C1=CC=C(C=C1)/C=C/C(=C/C2=CC=CC=C2)/S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H14O3S.C8H8.C4H9.Na/c17-20(18,19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14;1-2-8-6-4-3-5-7-8;1-4(2)3;/h1-13H,(H,17,18,19);2-7H,1H2;1-3H3;/q;;-1;+1/b12-11+,16-13-;;;