(6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-2-sulfonate

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-2-sulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid (3-amyl-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C30H34O4S MolecularWeight: 490.65356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H34O4S/c1-4-5-6-11-21-18-27-29(25-14-9-10-15-26(25)30(2,3)33-27)28(19-21)34-35(31,32)24-17-16-22-12-7-8-13-23(22)20-24/h7-9,12-14,16-20,25-26H,4-6,10-11,15H2,1-3H3