3,4-dimethyl-7-oxidanyl-chromen-2-one; phenylmethanesulfonate

Systemtic Name: 3,4-dimethyl-7-oxidanyl-chromen-2-one; phenylmethanesulfonate Openeye Name: 7-hydroxy-3,4-dimethyl-chromen-2-one; phenylmethanesulfonate CAS Name: 7-hydroxy-3,4-dimethyl-1-benzopyran-2-one; phenylmethanesulfonate IUPAC Name: 7-hydroxy-3,4-dimethylchromen-2-one; phenylmethanesulfonate Traditional Name: 7-hydroxy-3,4-dimethyl-coumarin; phenylmethanesulfonate Formula: C18H17O6S- MolecularWeight: 361.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C11H10O3.C7H8O3S/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10;8-11(9,10)6-7-4-2-1-3-5-7/h3-5,12H,1-2H3;1-5H,6H2,(H,8,9,10)/p-1