zinc 1,4a-dimethyl-7-propan-2-yl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: zinc 1,4a-dimethyl-7-propan-2-yl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: zinc 7-isopropyl-1,4a-dimethyl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: zinc 1,4a-dimethyl-7-propan-2-yl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate IUPAC Name: zinc 1,4a-dimethyl-7-propan-2-yl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: zinc 7-isopropyl-1,4a-dimethyl-6-sulfonato-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Formula: C20H26O5SZn MolecularWeight: 443.89144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)[O-])C)S(=O)(=O)[O-].[Zn+2]

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)[O-])C)S(=O)(=O)[O-].[Zn+2]

InChI

InChI=1S/C20H28O5S.Zn/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+2/p-2