sodium; chromen-2-one; dodecyl sulfate

Systemtic Name: sodium; chromen-2-one; dodecyl sulfate Openeye Name: sodium; chromen-2-one; dodecyl sulfate CAS Name: sodium; 1-benzopyran-2-one; dodecyl sulfate IUPAC Name: sodium; chromen-2-one; dodecyl sulfate Traditional Name: sodium; coumarin; lauryl sulfate Formula: C21H31NaO6S MolecularWeight: 434.52201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2.[Na+]

InChI

InChI=1S/C12H26O4S.C9H6O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;10-9-6-5-7-3-1-2-4-8(7)11-9;/h2-12H2,1H3,(H,13,14,15);1-6H;/q;;+1/p-1