sodium 4-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]butane-1-sulfonate

Systemtic Name: sodium 4-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]butane-1-sulfonate Openeye Name: sodium 4-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]butane-1-sulfonate CAS Name: sodium 4-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]-1-butanesulfonate IUPAC Name: sodium 4-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]butane-1-sulfonate Traditional Name: sodium 4-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]butane-1-sulfonate Formula: C23H31N2NaO3S MolecularWeight: 438.55861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCS(=O)(=O)[O-])C1=CC=C(C=C1)C=CC2=CC=NC=C2.[Na+]

Isomeric SMILES

CCCCCCN(CCCCS(=O)(=O)[O-])C1=CC=C(C=C1)/C=C/C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C23H32N2O3S.Na/c1-2-3-4-5-18-25(19-6-7-20-29(26,27)28)23-12-10-21(11-13-23)8-9-22-14-16-24-17-15-22;/h8-17H,2-7,18-20H2,1H3,(H,26,27,28);/q;+1/p-1/b9-8+;