2-[[2-[2-[2-[bis(carboxymethyl)amino]-5-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]phenoxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[2-[bis(carboxymethyl)amino]-5-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]phenoxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxo-9-xanthenyl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid Traditional Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-keto-xanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid Formula: C36H30Cl2N2O13 MolecularWeight: 769.535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)