4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Formula: C32H31N2O5S+ MolecularWeight: 555.66394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)O

InChI

InChI=1S/C32H30N2O5S/c1-33-27-20-25(23-10-4-2-5-11-23)14-16-29(27)38-31(33)22-32-34(18-8-9-19-40(35,36)37)28-21-26(15-17-30(28)39-32)24-12-6-3-7-13-24/h2-7,10-17,20-21,32H,8-9,18-19,22H2,1H3/p+1