4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Openeye Name: 4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate CAS Name: 4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]-5-phenyl-1,3-benzoxazol-3-yl]-1-butanesulfonate IUPAC Name: 4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Traditional Name: 4-[(2Z)-2-[[3-[4-(ethylaminooxysulfonyl)butyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Formula: C37H39N3O8S2 MolecularWeight: 717.85086

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Descriptors Computed from Structure

Canonical SMILES:

CCNOS(=O)(=O)CCCC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCNOS(=O)(=O)CCCC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C37H39N3O8S2/c1-2-38-48-50(44,45)24-12-10-22-40-33-26-31(29-15-7-4-8-16-29)18-20-35(33)47-37(40)27-36-39(21-9-11-23-49(41,42)43)32-25-30(17-19-34(32)46-36)28-13-5-3-6-14-28/h3-8,13-20,25-27,38H,2,9-12,21-24H2,1H3