1-methyl-7-propan-2-yl-phenanthrene-3-sulfonic acid

Systemtic Name: 1-methyl-7-propan-2-yl-phenanthrene-3-sulfonic acid Openeye Name: 7-isopropyl-1-methyl-phenanthrene-3-sulfonic acid CAS Name: 1-methyl-7-propan-2-yl-3-phenanthrenesulfonic acid IUPAC Name: 1-methyl-7-propan-2-ylphenanthrene-3-sulfonic acid Traditional Name: 7-isopropyl-1-methyl-phenanthrene-3-sulfonic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=CC(=C1)S(=O)(=O)O)C=CC(=C3)C(C)C

Isomeric SMILES

CC1=C2C=CC3=C(C2=CC(=C1)S(=O)(=O)O)C=CC(=C3)C(C)C

InChI

InChI=1S/C18H18O3S/c1-11(2)13-4-7-17-14(9-13)5-6-16-12(3)8-15(10-18(16)17)22(19,20)21/h4-11H,1-3H3,(H,19,20,21)