disodium 2-[4-[(E)-3-(4-sulfophenyl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: disodium 2-[4-[(E)-3-(4-sulfophenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: disodium 2-[4-[(E)-3-(4-sulfophenyl)prop-2-enoyl]phenoxy]acetic acid CAS Name: disodium 2-[4-[(E)-1-oxo-3-(4-sulfophenyl)prop-2-enyl]phenoxy]acetic acid IUPAC Name: disodium 2-[4-[(E)-3-(4-sulfophenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: disodium 2-[4-[(E)-3-(4-sulfophenyl)acryloyl]phenoxy]acetic acid Formula: C17H14Na2O7S+2 MolecularWeight: 408.3334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)OCC(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C17H14O7S.2Na/c18-16(13-4-6-14(7-5-13)24-11-17(19)20)10-3-12-1-8-15(9-2-12)25(21,22)23;;/h1-10H,11H2,(H,19,20)(H,21,22,23);;/q;2*+1/b10-3+;;