8-hexoxycarbonyl-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid

Systemtic Name: 8-hexoxycarbonyl-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid Openeye Name: 8-hexoxycarbonyl-2-isopropyl-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid CAS Name: 8-[hexoxy(oxo)methyl]-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid IUPAC Name: 8-hexoxycarbonyl-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid Traditional Name: 8-hexoxycarbonyl-2-isopropyl-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid Formula: C26H40O5S MolecularWeight: 464.6578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1(CCCC2(C1CCC3=CC(=C(C=C32)S(=O)(=O)O)C(C)C)C)C

Isomeric SMILES

CCCCCCOC(=O)C1(CCCC2(C1CCC3=CC(=C(C=C32)S(=O)(=O)O)C(C)C)C)C

InChI

InChI=1S/C26H40O5S/c1-6-7-8-9-15-31-24(27)26(5)14-10-13-25(4)21-17-22(32(28,29)30)20(18(2)3)16-19(21)11-12-23(25)26/h16-18,23H,6-15H2,1-5H3,(H,28,29,30)