(2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonic acid

Systemtic Name: (2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonic acid Openeye Name: (2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonic acid CAS Name: (2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]-2-butanesulfonic acid IUPAC Name: (2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonic acid Traditional Name: (2S)-4-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonic acid Formula: C23H28NO5S+ MolecularWeight: 430.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C)S(=O)(=O)O)OCC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC[C@H](C)S(=O)(=O)O)/OCC

InChI

InChI=1S/C23H27NO5S/c1-4-20(28-5-2)16-23-24(14-13-17(3)30(25,26)27)21-15-19(11-12-22(21)29-23)18-9-7-6-8-10-18/h6-12,15-17H,4-5,13-14H2,1-3H3/p+1/b20-16+/t17-/m0/s1