butanedioic acid; (1E)-1-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; hydrate

Systemtic Name: butanedioic acid; (1E)-1-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; hydrate Openeye Name: (1E)-1-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; succinic acid; hydrate CAS Name: butanedioic acid; (1E)-1-(2-tert-butyl-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine; hydrate IUPAC Name: butanedioic acid; (1E)-1-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; hydrate Traditional Name: [(1E)-1-(2-tert-butylthioxanthen-9-ylidene)propyl]-dimethyl-amine; succinic acid; hydrate Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C2=CC=CC=C2SC3=C1C=C(C=C3)C(C)(C)C)N(C)C.C(CC(=O)O)C(=O)O.O

Isomeric SMILES

CC/C(=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)C(C)(C)C)/N(C)C.C(CC(=O)O)C(=O)O.O

InChI

InChI=1S/C22H27NS.C4H6O4.H2O/c1-7-18(23(5)6)21-16-10-8-9-11-19(16)24-20-13-12-15(14-17(20)21)22(2,3)4;5-3(6)1-2-4(7)8;/h8-14H,7H2,1-6H3;1-2H2,(H,5,6)(H,7,8);1H2/b21-18+;;