[(Z)-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)amino] ester IUPAC Name: [(Z)-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(3-pentadecyl-6,7-dihydro-5H-indoxazen-4-ylidene)amino] ester Formula: C29H44N2O4S MolecularWeight: 516.73566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NOC2=C1C(=NOS(=O)(=O)C3=CC=C(C=C3)C)CCC2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NOC2=C1/C(=N\OS(=O)(=O)C3=CC=C(C=C3)C)/CCC2

InChI

InChI=1S/C29H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-29-27(18-16-19-28(29)34-30-26)31-35-36(32,33)25-22-20-24(2)21-23-25/h20-23H,3-19H2,1-2H3/b31-27-