3-[2-[(E)-(3-butyl-5-indol-1-yl-1,3-benzoxazol-2-ylidene)methyl]-5-indol-1-yl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-(3-butyl-5-indol-1-yl-1,3-benzoxazol-2-ylidene)methyl]-5-indol-1-yl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-(3-butyl-5-indol-1-yl-1,3-benzoxazol-2-ylidene)methyl]-5-indol-1-yl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-[3-butyl-5-(1-indolyl)-1,3-benzoxazol-2-ylidene]methyl]-5-(1-indolyl)-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-(3-butyl-5-indol-1-yl-1,3-benzoxazol-2-ylidene)methyl]-5-indol-1-yl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-(3-butyl-5-indol-1-yl-1,3-benzoxazol-2-ylidene)methyl]-5-indol-1-yl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C38H34N4O5S MolecularWeight: 658.76536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)N3C=CC4=CC=CC=C43)OC1=CC5=[N+](C6=C(O5)C=CC(=C6)N7C=CC8=CC=CC=C87)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN\1C2=C(C=CC(=C2)N3C=CC4=CC=CC=C43)O/C1=C/C5=[N+](C6=C(O5)C=CC(=C6)N7C=CC8=CC=CC=C87)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C38H34N4O5S/c1-2-3-19-41-33-24-29(39-21-17-27-9-4-6-11-31(27)39)13-15-35(33)46-37(41)26-38-42(20-8-23-48(43,44)45)34-25-30(14-16-36(34)47-38)40-22-18-28-10-5-7-12-32(28)40/h4-7,9-18,21-22,24-26H,2-3,8,19-20,23H2,1H3