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

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-1-sulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) naphthalene-1-sulfonate CAS Name: 1-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-1-sulfonate Traditional Name: naphthalene-1-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=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

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