disodium 3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-9H-xanthen-3-yl]propyl phosphate

Systemtic Name: disodium 3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-9H-xanthen-3-yl]propyl phosphate Openeye Name: disodium 3-[8-[(E)-2-(3-methoxyphenyl)vinyl]-7-methyl-1-prop-2-ynyl-9H-xanthen-3-yl]propyl phosphate CAS Name: disodium 3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-9H-xanthen-3-yl]propyl phosphate IUPAC Name: disodium 3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-9H-xanthen-3-yl]propyl phosphate Traditional Name: disodium 3-[8-[(E)-2-(3-methoxyphenyl)vinyl]-7-methyl-1-propargyl-9H-xanthen-3-yl]propyl phosphate Formula: C29H27Na2O6P MolecularWeight: 548.474381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC#C)CCCOP(=O)([O-])[O-])C=CC4=CC(=CC=C4)OC.[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC#C)CCCOP(=O)([O-])[O-])/C=C/C4=CC(=CC=C4)OC.[Na+].[Na+]

InChI

InChI=1S/C29H29O6P.2Na/c1-4-7-23-16-22(9-6-15-34-36(30,31)32)18-29-26(23)19-27-25(20(2)11-14-28(27)35-29)13-12-21-8-5-10-24(17-21)33-3;;/h1,5,8,10-14,16-18H,6-7,9,15,19H2,2-3H3,(H2,30,31,32);;/q;2*+1/p-2/b13-12+;;