5-[(4-cyclohexa-2,4-dien-1-yl-3-sulfo-phenyl)carbamoyl]-2-methanoyl-benzenesulfonic acid

Systemtic Name: 5-[(4-cyclohexa-2,4-dien-1-yl-3-sulfo-phenyl)carbamoyl]-2-methanoyl-benzenesulfonic acid Openeye Name: 5-[(4-cyclohexa-2,4-dien-1-yl-3-sulfo-phenyl)carbamoyl]-2-formyl-benzenesulfonic acid CAS Name: 5-[[4-(1-cyclohexa-2,4-dienyl)-3-sulfoanilino]-oxomethyl]-2-formylbenzenesulfonic acid IUPAC Name: 5-[(4-cyclohexa-2,4-dien-1-yl-3-sulfophenyl)carbamoyl]-2-formylbenzenesulfonic acid Traditional Name: 5-[(4-cyclohexa-2,4-dien-1-yl-3-sulfo-phenyl)carbamoyl]-2-formyl-besylic acid Formula: C20H17NO8S2 MolecularWeight: 463.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=CC=CC1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H17NO8S2/c22-12-15-7-6-14(10-18(15)30(24,25)26)20(23)21-16-8-9-17(13-4-2-1-3-5-13)19(11-16)31(27,28)29/h1-4,6-13H,5H2,(H,21,23)(H,24,25,26)(H,27,28,29)