4-[(2E)-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[(2E)-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate Openeye Name: 4-[(2E)-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate CAS Name: 4-[(2E)-2-[(2E)-2-[(1-ethyl-2-benzo[e][1,3]benzoxazol-1-iumyl)methylidene]butylidene]-3-benzo[f][1,3]benzoxazolyl]-1-butanesulfonate IUPAC Name: 4-[(2E)-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate Traditional Name: 4-[(2E)-2-[(E)-2-ethyl-3-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)prop-2-enylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CC)C=C4N(C5=CC6=CC=CC=C6C=C5O4)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CC)/C=C/4\N(C5=CC6=CC=CC=C6C=C5O4)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C33H32N2O5S/c1-3-23(19-31-34(4-2)33-27-14-8-7-11-24(27)15-16-29(33)39-31)20-32-35(17-9-10-18-41(36,37)38)28-21-25-12-5-6-13-26(25)22-30(28)40-32/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3