[(E)-[2-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[2-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[2-(p-tolyl)chroman-4-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[2-(4-methylphenyl)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino] ester IUPAC Name: [(E)-[2-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[2-(p-tolyl)chroman-4-ylidene]amino] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NOS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4O2

Isomeric SMILES

CC1=CC=C(C=C1)C2C/C(=N\OS(=O)(=O)C3=CC=C(C=C3)C)/C4=CC=CC=C4O2

InChI

InChI=1S/C23H21NO4S/c1-16-7-11-18(12-8-16)23-15-21(20-5-3-4-6-22(20)27-23)24-28-29(25,26)19-13-9-17(2)10-14-19/h3-14,23H,15H2,1-2H3/b24-21+