3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(E)-2-methyl-3-[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Formula: C36H35N2O8S2+ MolecularWeight: 687.8017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)O

Isomeric SMILES

C/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)O

InChI

InChI=1S/C36H34N2O8S2/c1-26(22-35-37(18-8-20-47(39,40)41)31-24-29(14-16-33(31)45-35)27-10-4-2-5-11-27)23-36-38(19-9-21-48(42,43)44)32-25-30(15-17-34(32)46-36)28-12-6-3-7-13-28/h2-7,10-17,22-25H,8-9,18-21H2,1H3,(H-,39,40,41,42,43,44)/p+1