2,5-bis(chloranyl)-4-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,5-bis(chloranyl)-4-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,5-dichloro-4-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 2,5-dichloro-4-[3-(1-pyrrolidin-1-iumylidene)-6-(1-pyrrolidinyl)-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,5-dichloro-4-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-ylxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,5-dichloro-4-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidino-xanthen-9-yl)isophthalic acid Formula: C29H25Cl2N2O5+ MolecularWeight: 552.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCC5)C=C4O3)C6=C(C=C(C(=C6C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCC5)C=C4O3)C6=C(C=C(C(=C6C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C29H24Cl2N2O5/c30-21-15-20(28(34)35)27(31)26(29(36)37)25(21)24-18-7-5-16(32-9-1-2-10-32)13-22(18)38-23-14-17(6-8-19(23)24)33-11-3-4-12-33/h5-8,13-15H,1-4,9-12H2,(H-,34,35,36,37)/p+1