disodium 2-methoxy-5-[(E)-3-oxidanylidene-3-(4-sulfonatophenyl)prop-1-enyl]benzenesulfonate hydrate

Systemtic Name: disodium 2-methoxy-5-[(E)-3-oxidanylidene-3-(4-sulfonatophenyl)prop-1-enyl]benzenesulfonate hydrate Openeye Name: disodium 2-methoxy-5-[(E)-3-oxo-3-(4-sulfonatophenyl)prop-1-enyl]benzenesulfonate hydrate CAS Name: disodium 2-methoxy-5-[(E)-3-oxo-3-(4-sulfonatophenyl)prop-1-enyl]benzenesulfonate hydrate IUPAC Name: disodium 2-methoxy-5-[(E)-3-oxo-3-(4-sulfonatophenyl)prop-1-enyl]benzenesulfonate hydrate Traditional Name: disodium 5-[(E)-3-keto-3-(4-sulfonatophenyl)prop-1-enyl]-2-methoxy-besylate hydrate Formula: C16H14Na2O9S2 MolecularWeight: 460.3865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C16H14O8S2.2Na.H2O/c1-24-15-9-3-11(10-16(15)26(21,22)23)2-8-14(17)12-4-6-13(7-5-12)25(18,19)20;;;/h2-10H,1H3,(H,18,19,20)(H,21,22,23);;;1H2/q;2*+1;/p-2/b8-2+;;;