sodium 3-(4-ethylphenyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]naphthalene-1-sulfonate Traditional Name: sodium 3-(4-ethylphenyl)-4-[[(E)-3-phenylacryloyl]amino]naphthalene-1-sulfonate Formula: C27H22NNaO4S MolecularWeight: 479.52265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)C=CC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)/C=C/C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H23NO4S.Na/c1-2-19-12-15-21(16-13-19)24-18-25(33(30,31)32)22-10-6-7-11-23(22)27(24)28-26(29)17-14-20-8-4-3-5-9-20;/h3-18H,2H2,1H3,(H,28,29)(H,30,31,32);/q;+1/p-1/b17-14+;