4-[9-(2,6-dimethyl-4-phenylmethoxycarbonyl-phenoxy)carbonyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonate

Systemtic Name: 4-[9-(2,6-dimethyl-4-phenylmethoxycarbonyl-phenoxy)carbonyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonate Openeye Name: 4-[9-(4-benzyloxycarbonyl-2,6-dimethyl-phenoxy)carbonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]acridin-10-ium-10-yl]butane-1-sulfonate CAS Name: 4-[9-[(2,6-dimethyl-4-phenylmethoxycarbonylphenoxy)-oxomethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-10-acridin-10-iumyl]-1-butanesulfonate IUPAC Name: 4-[9-(2,6-dimethyl-4-phenylmethoxycarbonylphenoxy)carbonyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonate Traditional Name: 4-[9-(4-carbobenzoxy-2,6-dimethyl-phenoxy)carbonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]acridin-10-ium-10-yl]butane-1-sulfonate Formula: C43H39NO8S MolecularWeight: 729.83666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)CCCCS(=O)(=O)[O-])C=CC5=CC=C(C=C5)OC)C)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)CCCCS(=O)(=O)[O-])/C=C/C5=CC=C(C=C5)OC)C)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C43H39NO8S/c1-29-25-34(42(45)51-28-33-11-5-4-6-12-33)26-30(2)41(29)52-43(46)40-36-13-7-8-14-38(36)44(23-9-10-24-53(47,48)49)39-22-19-32(27-37(39)40)16-15-31-17-20-35(50-3)21-18-31/h4-8,11-22,25-27H,9-10,23-24,28H2,1-3H3/b16-15+