sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzenesulfonate

Systemtic Name: sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzenesulfonate Openeye Name: sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzenesulfonate CAS Name: sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]benzenesulfonate IUPAC Name: sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzenesulfonate Traditional Name: sodium 5-azido-2-[(E)-3-(4-hydroxyphenyl)acryloyl]besylate Formula: C15H10N3NaO5S MolecularWeight: 367.31177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5S.Na/c16-18-17-11-4-7-13(15(9-11)24(21,22)23)14(20)8-3-10-1-5-12(19)6-2-10;/h1-9,19H,(H,21,22,23);/q;+1/p-1/b8-3+;