4-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]butane-1-sulfonic acid

Systemtic Name: 4-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]butane-1-sulfonic acid Openeye Name: 4-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]butane-1-sulfonic acid CAS Name: 4-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]-1-butanesulfonic acid IUPAC Name: 4-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]butane-1-sulfonic acid Traditional Name: 4-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]butane-1-sulfonic acid Formula: C23H32N2O3S MolecularWeight: 416.57678

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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

Isomeric SMILES

CCCCCCN(CCCCS(=O)(=O)O)C1=CC=C(C=C1)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C23H32N2O3S/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)/b9-8+