PFAS
全球PFAS筛查数据库
磷雌酚二钠(Cytonal disodium salt)
CAS号: 5965-09-3
IUPAC名称: sodium [4-[(E)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
分子式: C18H22NaO8P2+
分子量: 451.30000
InChI: InChI=1S/C18H22O8P2.Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);/q;+1/b18-17+;
InChIKey: PSCCMCIRPZMNQK-ZAGWXBKKSA-N
SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)OP(=O)(O)O)/C2=CC=C(C=C2)OP(=O)(O)O.[Na+]
EINECS: -
