benzenesulfinic acid; cyclopentane; 5-methanidylidenetridecane; zirconium(3+)

Systemtic Name: benzenesulfinic acid; cyclopentane; 5-methanidylidenetridecane; zirconium(3+) Openeye Name: benzenesulfinic acid; cyclopentane; 5-methanidylidenetridecane; zirconium(3+) CAS Name: benzenesulfinic acid; cyclopentane; 5-methanidylidenetridecane; zirconium(3+) IUPAC Name: benzenesulfinic acid; cyclopentane; 5-methanidylidenetridecane; zirconium(3+) Traditional Name: benzenesulfinic acid; 2-butyldec-1-ene; cyclopentane; zirconium(3+) Formula: C30H53O2SZr+2 MolecularWeight: 569.02962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=[CH-])CCCC.C1CCCC1.C1CCCC1.C1=CC=C(C=C1)S(=O)O.[Zr+3]

Isomeric SMILES

CCCCCCCCC(=[CH-])CCCC.C1CCCC1.C1CCCC1.C1=CC=C(C=C1)S(=O)O.[Zr+3]

InChI

InChI=1S/C14H27.C6H6O2S.2C5H10.Zr/c1-4-6-8-9-10-11-13-14(3)12-7-5-2;7-9(8)6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h3H,4-13H2,1-2H3;1-5H,(H,7,8);2*1-5H2;/q-1;;;;+3