20-(4-aminophenyl)sulfonyl-1,2-bis(oxidanyl)icosan-3-one; oxidanylidenetitanium

Systemtic Name: 20-(4-aminophenyl)sulfonyl-1,2-bis(oxidanyl)icosan-3-one; oxidanylidenetitanium Openeye Name: 20-(4-aminophenyl)sulfonyl-1,2-dihydroxy-icosan-3-one; oxotitanium CAS Name: 20-(4-aminophenyl)sulfonyl-1,2-dihydroxy-3-eicosanone; oxotitanium IUPAC Name: 20-(4-aminophenyl)sulfonyl-1,2-dihydroxyicosan-3-one; oxotitanium Traditional Name: 1,2-dihydroxy-20-sulfanilyl-eicosan-3-one; ketotitanium Formula: C26H45NO6STi MolecularWeight: 547.5706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)CCCCCCCCCCCCCCCCCC(=O)C(CO)O.O=[Ti]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)CCCCCCCCCCCCCCCCCC(=O)C(CO)O.O=[Ti]

InChI

InChI=1S/C26H45NO5S.O.Ti/c27-23-17-19-24(20-18-23)33(31,32)21-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-25(29)26(30)22-28;;/h17-20,26,28,30H,1-16,21-22,27H2;;