disodium 2,3-bis[(E)-2-phenylethenyl]-4-(4-sulfonatophenyl)benzenesulfonate

Systemtic Name: disodium 2,3-bis[(E)-2-phenylethenyl]-4-(4-sulfonatophenyl)benzenesulfonate Openeye Name: disodium 2,3-bis[(E)-styryl]-4-(4-sulfonatophenyl)benzenesulfonate CAS Name: disodium 2,3-bis[(E)-2-phenylethenyl]-4-(4-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 2,3-bis[(E)-2-phenylethenyl]-4-(4-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 2,3-bis[(E)-styryl]-4-(4-sulfonatophenyl)besylate Formula: C28H20Na2O6S2 MolecularWeight: 562.56434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C=CC(=C2C=CC3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C=CC(=C2/C=C/C3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H22O6S2.2Na/c29-35(30,31)24-15-13-23(14-16-24)25-19-20-28(36(32,33)34)27(18-12-22-9-5-2-6-10-22)26(25)17-11-21-7-3-1-4-8-21;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b17-11+,18-12+;;