1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2)

CAS Registry Number®

68991-93-5

CAS Name

1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2)

Molecular Formula

C28H31O7P.2C4H11NO2

Cite this Page

1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68991-93-5 (retrieved 2024-11-24) (CAS RN: 68991-93-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31O7P.C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);6-7H,2-3,5H2,1H3

InChIKey

InChIKey=DIYBCCDKXAYQHV-UHFFFAOYSA-N

SMILES

CC=1C(C2(C=3C(C(=O)O2)=CC=CC3)C4=CC(C(C)C)=C(O)C=C4C)=CC(C(C)C)=C(OP(=O)(O)O)C1.C(CO)(CO)(C)N

Canonical SMILES

O=C1OC(C=2C=CC=CC12)(C3=CC(=C(O)C=C3C)C(C)C)C4=CC(=C(OP(=O)(O)O)C=C4C)C(C)C.OCC(N)(C)CO

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2)
  • 1,3-Propanediol, 2-amino-2-methyl-, compd. with 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-1(3H)-isobenzofuranone (2:1)

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