[12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate

Systemtic Name: [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate Openeye Name: [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [12-(hydroxymethyl)-7-benzo[a]anthracenyl]methyl ester IUPAC Name: [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid (12-methylolbenz[a]anthracen-7-yl)methyl ester Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)COS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)COS(=O)(=O)O

InChI

InChI=1S/C20H16O5S/c21-11-18-15-7-3-4-8-16(15)19(12-25-26(22,23)24)17-10-9-13-5-1-2-6-14(13)20(17)18/h1-10,21H,11-12H2,(H,22,23,24)