[2-oxidanylidene-3-(tridecanoylamino)chromen-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-3-(tridecanoylamino)chromen-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-3-(tridecanoylamino)chromen-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-3-(1-oxotridecylamino)-1-benzopyran-4-yl] ester IUPAC Name: [2-oxo-3-(tridecanoylamino)chromen-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-3-(tridecanoylamino)chromen-4-yl] ester Formula: C29H37NO6S MolecularWeight: 527.67218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2OC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2OC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H37NO6S/c1-3-4-5-6-7-8-9-10-11-12-17-26(31)30-27-28(24-15-13-14-16-25(24)35-29(27)32)36-37(33,34)23-20-18-22(2)19-21-23/h13-16,18-21H,3-12,17H2,1-2H3,(H,30,31)