4-[(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)methylideneamino]benzenesulfonic acid

Systemtic Name: 4-[(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)methylideneamino]benzenesulfonic acid Openeye Name: 4-[(6-tert-butyl-1,1-dimethyl-indan-4-yl)methyleneamino]benzenesulfonic acid CAS Name: 4-[(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)methylideneamino]benzenesulfonic acid IUPAC Name: 4-[(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)methylideneamino]benzenesulfonic acid Traditional Name: 4-[(6-tert-butyl-1,1-dimethyl-indan-4-yl)methyleneamino]besylic acid Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C1C=C(C=C2C=NC3=CC=C(C=C3)S(=O)(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(CCC2=C1C=C(C=C2C=NC3=CC=C(C=C3)S(=O)(=O)O)C(C)(C)C)C

InChI

InChI=1S/C22H27NO3S/c1-21(2,3)16-12-15(19-10-11-22(4,5)20(19)13-16)14-23-17-6-8-18(9-7-17)27(24,25)26/h6-9,12-14H,10-11H2,1-5H3,(H,24,25,26)