4-[9-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2,6-dimethyl-phenoxy]carbonyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonic acid

Systemtic Name: 4-[9-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2,6-dimethyl-phenoxy]carbonyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonic acid Openeye Name: 4-[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethyl-phenoxy]carbonyl-3-[(E)-2-(p-tolyl)vinyl]acridin-10-ium-10-yl]butane-1-sulfonic acid CAS Name: 4-[9-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]-2,6-dimethylphenoxy]-oxomethyl]-3-[(E)-2-(4-methylphenyl)ethenyl]-10-acridin-10-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenoxy]carbonyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-10-yl]butane-1-sulfonic acid Traditional Name: 4-[9-(2,6-dimethyl-4-succinimidooxycarbonyl-phenoxy)carbonyl-3-[(E)-2-(p-tolyl)vinyl]acridin-10-ium-10-yl]butane-1-sulfonic acid Formula: C40H37N2O9S+ MolecularWeight: 721.79478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC3=[N+](C4=CC=CC=C4C(=C3C=C2)C(=O)OC5=C(C=C(C=C5C)C(=O)ON6C(=O)CCC6=O)C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC3=[N+](C4=CC=CC=C4C(=C3C=C2)C(=O)OC5=C(C=C(C=C5C)C(=O)ON6C(=O)CCC6=O)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C40H36N2O9S/c1-25-10-12-28(13-11-25)14-15-29-16-17-32-34(24-29)41(20-6-7-21-52(47,48)49)33-9-5-4-8-31(33)37(32)40(46)50-38-26(2)22-30(23-27(38)3)39(45)51-42-35(43)18-19-36(42)44/h4-5,8-17,22-24H,6-7,18-21H2,1-3H3/p+1/b15-14+