4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfino-spiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2-ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfino-spiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2-ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonic acid Openeye Name: 4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfino-spiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2-ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonic acid CAS Name: 4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfino-2-spiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfinospiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2-ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonic acid Traditional Name: 4-[5-phenyl-2-[(E)-(5-phenyl-2'-sulfino-spiro[1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2-ylidene)methyl]-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonic acid Formula: C35H34N2O7S2+2 MolecularWeight: 658.78366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+]2(C1)C3=C(C=CC(=C3)C4=CC=CC=C4)OC2=CC5=[N+](C6=C(O5)C=CC(=C6)C7=CC=CC=C7)CCCCS(=O)(=O)O)S(=O)O

Isomeric SMILES

C1CC([N+]\2(C1)C3=C(C=CC(=C3)C4=CC=CC=C4)O/C2=C/C5=[N+](C6=C(O5)C=CC(=C6)C7=CC=CC=C7)CCCCS(=O)(=O)O)S(=O)O

InChI

InChI=1S/C35H32N2O7S2/c38-45(39)35-14-9-20-37(35)30-23-28(26-12-5-2-6-13-26)16-18-32(30)44-34(37)24-33-36(19-7-8-21-46(40,41)42)29-22-27(15-17-31(29)43-33)25-10-3-1-4-11-25/h1-6,10-13,15-18,22-24,35H,7-9,14,19-21H2/p+2/b34-24+