1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, calcium salt (1:2)

CAS Registry Number®

94465-66-4

CAS Name

1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, calcium salt (1:2)

Molecular Formula

C20H16O10P2.2Ca

Cite this Page

1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, calcium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94465-66-4 (retrieved 2024-11-26) (CAS RN: 94465-66-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H16O10P2.2Ca/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;

InChIKey

InChIKey=VBOVQUHJJYSUAY-UHFFFAOYSA-N

SMILES

O=C1OC(C=2C1=CC=CC2)(C3=CC=C(OP(=O)(O)O)C=C3)C4=CC=C(OP(=O)(O)O)C=C4.[Ca]

Canonical SMILES

[Ca].O=C1OC(C2=CC=C(OP(=O)(O)O)C=C2)(C3=CC=C(OP(=O)(O)O)C=C3)C=4C=CC=CC14

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, calcium salt (1:2)

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