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中国新化学物质查询

邻甲酚酞络合酮二钠盐(sodium,2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzoate)

邻甲酚酞络合酮, o-Cresolphthalein complexone disodium salt, Disodium dihydrogen N,N'-((3-oxo-(3H)-isobenzofuran-1-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxylatomethyl)glycinate), EINECS 305-335-9, MFCD00148977

CAS号: 94442-10-1

IUPAC名称: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzoate

分子式: C32H30N2Na2O12

分子量: 680.56600

InChI: InChI=1S/C32H32N2O12.Na/c1-17-7-19(9-21(30(17)43)11-33(13-25(35)36)14-26(37)38)29(23-5-3-4-6-24(23)32(45)46)20-8-18(2)31(44)22(10-20)12-34(15-27(39)40)16-28(41)42;/h3-10,43H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,45,46);/q;+1/p-1/b29-20-;

InChIKey: URMSJFDNSPGTSG-XVSWSKOJSA-M

SMILES: CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)/C(=C/2\C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)/C3=CC=CC=C3C(=O)[O-].[Na+]

EINECS: 305-335-9

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