[(E)-(6-bromanyl-3,3-dimethyl-2H-inden-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-(6-bromanyl-3,3-dimethyl-2H-inden-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(6-bromo-3,3-dimethyl-indan-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(6-bromo-3,3-dimethyl-2H-inden-1-ylidene)amino] ester IUPAC Name: [(E)-(6-bromo-3,3-dimethyl-2H-inden-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(6-bromo-3,3-dimethyl-indan-1-ylidene)amino] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(C3=C2C=C(C=C3)Br)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CC(C3=C2C=C(C=C3)Br)(C)C

InChI

InChI=1S/C18H18BrNO3S/c1-12-4-7-14(8-5-12)24(21,22)23-20-17-11-18(2,3)16-9-6-13(19)10-15(16)17/h4-10H,11H2,1-3H3/b20-17+