trisodium (Z)-2-[(4-carboxylatophenyl)methyl]-3-propan-2-yl-but-2-enedioate

Systemtic Name: trisodium (Z)-2-[(4-carboxylatophenyl)methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: trisodium (Z)-2-[(4-carboxylatophenyl)methyl]-3-isopropyl-but-2-enedioate CAS Name: trisodium (Z)-2-[(4-carboxylatophenyl)methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: trisodium (Z)-2-[(4-carboxylatophenyl)methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: trisodium (Z)-2-(4-carboxylatobenzyl)-3-isopropyl-but-2-enedioate Formula: C15H13Na3O6 MolecularWeight: 358.22943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)[O-])/C(=O)[O-])/C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C15H16O6.3Na/c1-8(2)12(15(20)21)11(14(18)19)7-9-3-5-10(6-4-9)13(16)17;;;/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19)(H,20,21);;;/q;3*+1/p-3/b12-11-;;;