56298-82-9
2-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-1,4-NAPHTHALENEDIOL DIACETATE
Name2-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-1,4-NAPHTHALENEDIOL DIACETATE
1Identification
【Name】
2-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-1,4-NAPHTHALENEDIOL DIACETATE
【CAS】
【MDL】
MFCD21609005
【English Synonyms】
【Formula】
C30 H38 O4
【MolWeight】
462.626
【Inchi】
InChI=1S/C30H38O4/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-19-26-23(5)29(33-24(6)31)27-16-8-9-17-28(27)30(26)34-25(7)32/h8-9,12,14,16-18H,10-11,13,15,19H2,1-7H3/b21-14+,22-18+
【InChIKey】
InChIKey=LQOXSTKPVFKMOB-SEUYJHDCSA-N
【SMILES】
Cc1c(c(c2ccccc2c1OC(=O)C)OC(=O)C)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
【MOL File】
2-METHYL-3-(3,7,11-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-1,4-NAPHTHALENEDIOL DIACETATE.cml