disodium; buta-1,3-diene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid

Systemtic Name: disodium; buta-1,3-diene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid Openeye Name: disodium; buta-1,3-diene; isoprene; (E)-2-phenylethenesulfonic acid CAS Name: disodium; buta-1,3-diene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid IUPAC Name: disodium; buta-1,3-diene; 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid Traditional Name: disodium; buta-1,3-diene; isoprene; (E)-2-phenylethenesulfonic acid Formula: C25H30Na2O6S2+2 MolecularWeight: 536.61164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H8O3S.C5H8.C4H6.2Na/c2*9-12(10,11)7-6-8-4-2-1-3-5-8;1-4-5(2)3;1-3-4-2;;/h2*1-7H,(H,9,10,11);4H,1-2H2,3H3;3-4H,1-2H2;;/q;;;;2*+1/b2*7-6+;;;;