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

Systemtic Name: 4-[9-(2,6-dimethyl-4-phenylmethoxycarbonyl-phenoxy)carbonyl-2-methoxy-acridin-10-ium-10-yl]butane-1-sulfonate Openeye Name: 4-[9-(4-benzyloxycarbonyl-2,6-dimethyl-phenoxy)carbonyl-2-methoxy-acridin-10-ium-10-yl]butane-1-sulfonate CAS Name: 4-[9-[(2,6-dimethyl-4-phenylmethoxycarbonylphenoxy)-oxomethyl]-2-methoxy-10-acridin-10-iumyl]-1-butanesulfonate IUPAC Name: 4-[9-(2,6-dimethyl-4-phenylmethoxycarbonylphenoxy)carbonyl-2-methoxyacridin-10-ium-10-yl]butane-1-sulfonate Traditional Name: 4-[9-(4-carbobenzoxy-2,6-dimethyl-phenoxy)carbonyl-2-methoxy-acridin-10-ium-10-yl]butane-1-sulfonate Formula: C35H33NO8S MolecularWeight: 627.70342

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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-])OC)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)CCCCS(=O)(=O)[O-])OC)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H33NO8S/c1-23-19-26(34(37)43-22-25-11-5-4-6-12-25)20-24(2)33(23)44-35(38)32-28-13-7-8-14-30(28)36(17-9-10-18-45(39,40)41)31-16-15-27(42-3)21-29(31)32/h4-8,11-16,19-21H,9-10,17-18,22H2,1-3H3