6-Hydroxymethylbenzo(a)pyrene sulfate ester (sodium salt)
Molecular Formula:
C
21
H
13
NaO
4
S
InChI:
InChI=1/C21H14O4S.Na/c22-26(23,24)25-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14;/h1-11H,12H2,(H,22,23,24);/q;+1/p-1/fC21H13O4S.Na/q-1;m
InChIKey:
InChIKey=PKUVMANQANSWIU-VWTHINOACR
SMILES:
C1=CC=C2C(=C1)C3=C4C(=C2COS(=O)(=O)[O-])C=CC5=CC=CC(=C54)C=C3.[Na+]
Names:
Benzo(a)pyrene-6-methanol, hydrogen sulfate, sodium salt
BENZO(a)PYRENE-6-METHANOL, SODIUM SULFATE (ester)
CCRIS 2790
6-Hydroxymethylbenzo(a)pyrene sulfate ester (sodium salt)
6-Sulfonoxymethylbenzo(a)pyrene
68041-18-9
71839-05-9
Registries:
PubChem CID 50025
PubChem ID 188577