disodium 4-[(E)-4-(4-oxidanidylphenyl)hex-3-en-3-yl]phenolate

Systemtic Name: disodium 4-[(E)-4-(4-oxidanidylphenyl)hex-3-en-3-yl]phenolate Openeye Name: disodium 4-[(E)-1-ethyl-2-(4-oxidophenyl)but-1-enyl]phenolate CAS Name: disodium 4-[(E)-4-(4-oxidophenyl)hex-3-en-3-yl]phenolate IUPAC Name: disodium 4-[(E)-4-(4-oxidophenyl)hex-3-en-3-yl]phenolate Traditional Name: disodium 4-[(E)-1-ethyl-2-(4-oxidophenyl)but-1-enyl]phenolate Formula: C18H18Na2O2 MolecularWeight: 312.31386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2.2Na/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;;/h5-12,19-20H,3-4H2,1-2H3;;/q;2*+1/p-2/b18-17+;;